(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethyl-N-prop-2-enylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-amine

C48H79N — CID 13022426

IUPAC(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethyl-N-prop-2-enylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-amine
SMILESC=CCNC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C48H79N/c1-12-38-49-39-37-48(11)36-20-35-47(10)34-19-33-46(9)32-18-31-45(8)30-17-29-44(7)28-16-27-43(6)26-15-25-42(5)24-14-23-41(4)22-13-21-40(2)3/h12,21,23,25,27,29,31,33,35,37,49H,1,13-20,22,24,26,28,30,32,34,36,38-39H2,2-11H3/b41-23+,42-25+,43-27+,44-29+,45-31+,46-33+,47-35+,48-37+
InChIKeyXGMBEUSCHZFBHY-IQSNHBBHSA-N
MW670.17 g/mol
LogP15.54
Rot. Bonds28

About (2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethyl-N-prop-2-enylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-amine

(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethyl-N-prop-2-enylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-amine (PubChem CID 13022426) has the molecular formula C48H79N and a molecular weight of 670.17 g/mol. Its IUPAC name is (2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethyl-N-prop-2-enylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-amine.

Molecular Properties

Compound Name(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethyl-N-prop-2-enylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-amine
PubChem CID13022426
Molecular FormulaC48H79N
Molecular Weight670.17 g/mol
Exact Mass669.62
IUPAC Name(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethyl-N-prop-2-enylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-amine
SMILESC=CCNC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C48H79N/c1-12-38-49-39-37-48(11)36-20-35-47(10)34-19-33-46(9)32-18-31-45(8)30-17-29-44(7)28-16-27-43(6)26-15-25-42(5)24-14-23-41(4)22-13-21-40(2)3/h12,21,23,25,27,29,31,33,35,37,49H,1,13-20,22,24,26,28,30,32,34,36,38-39H2,2-11H3/b41-23+,42-25+,43-27+,44-29+,45-31+,46-33+,47-35+,48-37+
InChIKeyXGMBEUSCHZFBHY-IQSNHBBHSA-N
XLogP15.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds28
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.17
LogP ≤ 515.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethyl-N-prop-2-enylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethyl-N-prop-2-enylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-amine?
The IUPAC name of (2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethyl-N-prop-2-enylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-amine (CID 13022426) is (2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethyl-N-prop-2-enylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-amine.
What is the SMILES notation for (2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethyl-N-prop-2-enylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-amine?
The canonical SMILES for (2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethyl-N-prop-2-enylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-amine is C=CCNC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethyl-N-prop-2-enylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-amine?
The InChIKey is XGMBEUSCHZFBHY-IQSNHBBHSA-N. The full InChI is InChI=1S/C48H79N/c1-12-38-49-39-37-48(11)36-20-35-47(10)34-19-33-46(9)32-18-31-45(8)30-17-29-44(7)28-16-27-43(6)26-15-25-42(5)24-14-23-41(4)22-13-21-40(2)3/h12,21,23,25,27,29,31,33,35,37,49H,1,13-20,22,24,26,28,30,32,34,36,38-39H2,2-11H3/b41-23+,42-25+,43-27+,44-29+,45-31+,46-33+,47-35+,48-37+.
What are the key properties of (2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethyl-N-prop-2-enylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-amine?
(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethyl-N-prop-2-enylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-amine has a molecular weight of 670.17 g/mol, XLogP of 15.54, 28 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethyl-N-prop-2-enylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-amine is sourced from PubChem (CID 13022426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).