2,2-dimethyl-1-[(3Z,5Z,7Z)-2-methyl-5-propan-2-ylnona-3,5,7-trien-4-yl]pyrrolidine

C19H33N — CID 143731083

IUPAC2,2-dimethyl-1-[(3Z,5Z,7Z)-2-methyl-5-propan-2-ylnona-3,5,7-trien-4-yl]pyrrolidine
SMILESC/C=C\C=C(C(=C/C(C)C)/N1CCCC1(C)C)\C(C)C
InChIInChI=1S/C19H33N/c1-8-9-11-17(16(4)5)18(14-15(2)3)20-13-10-12-19(20,6)7/h8-9,11,14-16H,10,12-13H2,1-7H3/b9-8-,17-11-,18-14-
InChIKeyPHFZPLLHNBXGNX-VJFVAOFWSA-N
MW275.48 g/mol
LogP5.56
Rot. Bonds5

About 2,2-dimethyl-1-[(3Z,5Z,7Z)-2-methyl-5-propan-2-ylnona-3,5,7-trien-4-yl]pyrrolidine

2,2-dimethyl-1-[(3Z,5Z,7Z)-2-methyl-5-propan-2-ylnona-3,5,7-trien-4-yl]pyrrolidine (PubChem CID 143731083) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 2,2-dimethyl-1-[(3Z,5Z,7Z)-2-methyl-5-propan-2-ylnona-3,5,7-trien-4-yl]pyrrolidine.

Molecular Properties

Compound Name2,2-dimethyl-1-[(3Z,5Z,7Z)-2-methyl-5-propan-2-ylnona-3,5,7-trien-4-yl]pyrrolidine
PubChem CID143731083
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name2,2-dimethyl-1-[(3Z,5Z,7Z)-2-methyl-5-propan-2-ylnona-3,5,7-trien-4-yl]pyrrolidine
SMILESC/C=C\C=C(C(=C/C(C)C)/N1CCCC1(C)C)\C(C)C
InChIInChI=1S/C19H33N/c1-8-9-11-17(16(4)5)18(14-15(2)3)20-13-10-12-19(20,6)7/h8-9,11,14-16H,10,12-13H2,1-7H3/b9-8-,17-11-,18-14-
InChIKeyPHFZPLLHNBXGNX-VJFVAOFWSA-N
XLogP5.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[(3Z,5Z,7Z)-2-methyl-5-propan-2-ylnona-3,5,7-trien-4-yl]pyrrolidine?
The IUPAC name of 2,2-dimethyl-1-[(3Z,5Z,7Z)-2-methyl-5-propan-2-ylnona-3,5,7-trien-4-yl]pyrrolidine (CID 143731083) is 2,2-dimethyl-1-[(3Z,5Z,7Z)-2-methyl-5-propan-2-ylnona-3,5,7-trien-4-yl]pyrrolidine.
What is the SMILES notation for 2,2-dimethyl-1-[(3Z,5Z,7Z)-2-methyl-5-propan-2-ylnona-3,5,7-trien-4-yl]pyrrolidine?
The canonical SMILES for 2,2-dimethyl-1-[(3Z,5Z,7Z)-2-methyl-5-propan-2-ylnona-3,5,7-trien-4-yl]pyrrolidine is C/C=C\C=C(C(=C/C(C)C)/N1CCCC1(C)C)\C(C)C.
What is the InChIKey of 2,2-dimethyl-1-[(3Z,5Z,7Z)-2-methyl-5-propan-2-ylnona-3,5,7-trien-4-yl]pyrrolidine?
The InChIKey is PHFZPLLHNBXGNX-VJFVAOFWSA-N. The full InChI is InChI=1S/C19H33N/c1-8-9-11-17(16(4)5)18(14-15(2)3)20-13-10-12-19(20,6)7/h8-9,11,14-16H,10,12-13H2,1-7H3/b9-8-,17-11-,18-14-.
What are the key properties of 2,2-dimethyl-1-[(3Z,5Z,7Z)-2-methyl-5-propan-2-ylnona-3,5,7-trien-4-yl]pyrrolidine?
2,2-dimethyl-1-[(3Z,5Z,7Z)-2-methyl-5-propan-2-ylnona-3,5,7-trien-4-yl]pyrrolidine has a molecular weight of 275.48 g/mol, XLogP of 5.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[(3Z,5Z,7Z)-2-methyl-5-propan-2-ylnona-3,5,7-trien-4-yl]pyrrolidine is sourced from PubChem (CID 143731083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).