(Z)-2-[amino(5-methylhexyl)amino]-6-methylhept-1-en-1-amine

C15H33N3 — CID 134358830

IUPAC(Z)-2-[amino(5-methylhexyl)amino]-6-methylhept-1-en-1-amine
SMILESCC(C)CCCCN(N)/C(=C\N)CCCC(C)C
InChIInChI=1S/C15H33N3/c1-13(2)8-5-6-11-18(17)15(12-16)10-7-9-14(3)4/h12-14H,5-11,16-17H2,1-4H3/b15-12-
InChIKeyJSTGVJLVZRSFAH-QINSGFPZSA-N
MW255.45 g/mol
LogP3.61
Rot. Bonds10

About (Z)-2-[amino(5-methylhexyl)amino]-6-methylhept-1-en-1-amine

(Z)-2-[amino(5-methylhexyl)amino]-6-methylhept-1-en-1-amine (PubChem CID 134358830) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is (Z)-2-[amino(5-methylhexyl)amino]-6-methylhept-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[amino(5-methylhexyl)amino]-6-methylhept-1-en-1-amine
PubChem CID134358830
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name(Z)-2-[amino(5-methylhexyl)amino]-6-methylhept-1-en-1-amine
SMILESCC(C)CCCCN(N)/C(=C\N)CCCC(C)C
InChIInChI=1S/C15H33N3/c1-13(2)8-5-6-11-18(17)15(12-16)10-7-9-14(3)4/h12-14H,5-11,16-17H2,1-4H3/b15-12-
InChIKeyJSTGVJLVZRSFAH-QINSGFPZSA-N
XLogP3.61
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[amino(5-methylhexyl)amino]-6-methylhept-1-en-1-amine?
The IUPAC name of (Z)-2-[amino(5-methylhexyl)amino]-6-methylhept-1-en-1-amine (CID 134358830) is (Z)-2-[amino(5-methylhexyl)amino]-6-methylhept-1-en-1-amine.
What is the SMILES notation for (Z)-2-[amino(5-methylhexyl)amino]-6-methylhept-1-en-1-amine?
The canonical SMILES for (Z)-2-[amino(5-methylhexyl)amino]-6-methylhept-1-en-1-amine is CC(C)CCCCN(N)/C(=C\N)CCCC(C)C.
What is the InChIKey of (Z)-2-[amino(5-methylhexyl)amino]-6-methylhept-1-en-1-amine?
The InChIKey is JSTGVJLVZRSFAH-QINSGFPZSA-N. The full InChI is InChI=1S/C15H33N3/c1-13(2)8-5-6-11-18(17)15(12-16)10-7-9-14(3)4/h12-14H,5-11,16-17H2,1-4H3/b15-12-.
What are the key properties of (Z)-2-[amino(5-methylhexyl)amino]-6-methylhept-1-en-1-amine?
(Z)-2-[amino(5-methylhexyl)amino]-6-methylhept-1-en-1-amine has a molecular weight of 255.45 g/mol, XLogP of 3.61, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[amino(5-methylhexyl)amino]-6-methylhept-1-en-1-amine is sourced from PubChem (CID 134358830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).