N,2-dimethyl-N-[[4-[(3Z,7Z,10Z)-2,6,9-trimethyl-9-propan-2-yl-6-propyltrideca-3,7,10-trien-2-yl]-3,4-dihydro-2H-pyrrol-5-yl]methyl]prop-2-en-1-amine

C32H56N2 — CID 155070672

IUPACN,2-dimethyl-N-[[4-[(3Z,7Z,10Z)-2,6,9-trimethyl-9-propan-2-yl-6-propyltrideca-3,7,10-trien-2-yl]-3,4-dihydro-2H-pyrrol-5-yl]methyl]prop-2-en-1-amine
SMILESC=C(C)CN(C)CC1=NCCC1C(C)(C)/C=C\CC(C)(/C=C\C(C)(/C=C\CC)C(C)C)CCC
InChIInChI=1S/C32H56N2/c1-12-14-20-32(10,27(5)6)22-21-31(9,17-13-2)19-15-18-30(7,8)28-16-23-33-29(28)25-34(11)24-26(3)4/h14-15,18,20-22,27-28H,3,12-13,16-17,19,23-25H2,1-2,4-11H3/b18-15-,20-14-,22-21-
InChIKeyXXGZMPLLESWQMX-MVURNOMGSA-N
MW468.81 g/mol
LogP8.92
Rot. Bonds15

About N,2-dimethyl-N-[[4-[(3Z,7Z,10Z)-2,6,9-trimethyl-9-propan-2-yl-6-propyltrideca-3,7,10-trien-2-yl]-3,4-dihydro-2H-pyrrol-5-yl]methyl]prop-2-en-1-amine

N,2-dimethyl-N-[[4-[(3Z,7Z,10Z)-2,6,9-trimethyl-9-propan-2-yl-6-propyltrideca-3,7,10-trien-2-yl]-3,4-dihydro-2H-pyrrol-5-yl]methyl]prop-2-en-1-amine (PubChem CID 155070672) has the molecular formula C32H56N2 and a molecular weight of 468.81 g/mol. Its IUPAC name is N,2-dimethyl-N-[[4-[(3Z,7Z,10Z)-2,6,9-trimethyl-9-propan-2-yl-6-propyltrideca-3,7,10-trien-2-yl]-3,4-dihydro-2H-pyrrol-5-yl]methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[[4-[(3Z,7Z,10Z)-2,6,9-trimethyl-9-propan-2-yl-6-propyltrideca-3,7,10-trien-2-yl]-3,4-dihydro-2H-pyrrol-5-yl]methyl]prop-2-en-1-amine
PubChem CID155070672
Molecular FormulaC32H56N2
Molecular Weight468.81 g/mol
Exact Mass468.44
IUPAC NameN,2-dimethyl-N-[[4-[(3Z,7Z,10Z)-2,6,9-trimethyl-9-propan-2-yl-6-propyltrideca-3,7,10-trien-2-yl]-3,4-dihydro-2H-pyrrol-5-yl]methyl]prop-2-en-1-amine
SMILESC=C(C)CN(C)CC1=NCCC1C(C)(C)/C=C\CC(C)(/C=C\C(C)(/C=C\CC)C(C)C)CCC
InChIInChI=1S/C32H56N2/c1-12-14-20-32(10,27(5)6)22-21-31(9,17-13-2)19-15-18-30(7,8)28-16-23-33-29(28)25-34(11)24-26(3)4/h14-15,18,20-22,27-28H,3,12-13,16-17,19,23-25H2,1-2,4-11H3/b18-15-,20-14-,22-21-
InChIKeyXXGZMPLLESWQMX-MVURNOMGSA-N
XLogP8.92
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.81
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,2-dimethyl-N-[[4-[(3Z,7Z,10Z)-2,6,9-trimethyl-9-propan-2-yl-6-propyltrideca-3,7,10-trien-2-yl]-3,4-dihydro-2H-pyrrol-5-yl]methyl]prop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[4-[(3Z,7Z,10Z)-2,6,9-trimethyl-9-propan-2-yl-6-propyltrideca-3,7,10-trien-2-yl]-3,4-dihydro-2H-pyrrol-5-yl]methyl]prop-2-en-1-amine?
The IUPAC name of N,2-dimethyl-N-[[4-[(3Z,7Z,10Z)-2,6,9-trimethyl-9-propan-2-yl-6-propyltrideca-3,7,10-trien-2-yl]-3,4-dihydro-2H-pyrrol-5-yl]methyl]prop-2-en-1-amine (CID 155070672) is N,2-dimethyl-N-[[4-[(3Z,7Z,10Z)-2,6,9-trimethyl-9-propan-2-yl-6-propyltrideca-3,7,10-trien-2-yl]-3,4-dihydro-2H-pyrrol-5-yl]methyl]prop-2-en-1-amine.
What is the SMILES notation for N,2-dimethyl-N-[[4-[(3Z,7Z,10Z)-2,6,9-trimethyl-9-propan-2-yl-6-propyltrideca-3,7,10-trien-2-yl]-3,4-dihydro-2H-pyrrol-5-yl]methyl]prop-2-en-1-amine?
The canonical SMILES for N,2-dimethyl-N-[[4-[(3Z,7Z,10Z)-2,6,9-trimethyl-9-propan-2-yl-6-propyltrideca-3,7,10-trien-2-yl]-3,4-dihydro-2H-pyrrol-5-yl]methyl]prop-2-en-1-amine is C=C(C)CN(C)CC1=NCCC1C(C)(C)/C=C\CC(C)(/C=C\C(C)(/C=C\CC)C(C)C)CCC.
What is the InChIKey of N,2-dimethyl-N-[[4-[(3Z,7Z,10Z)-2,6,9-trimethyl-9-propan-2-yl-6-propyltrideca-3,7,10-trien-2-yl]-3,4-dihydro-2H-pyrrol-5-yl]methyl]prop-2-en-1-amine?
The InChIKey is XXGZMPLLESWQMX-MVURNOMGSA-N. The full InChI is InChI=1S/C32H56N2/c1-12-14-20-32(10,27(5)6)22-21-31(9,17-13-2)19-15-18-30(7,8)28-16-23-33-29(28)25-34(11)24-26(3)4/h14-15,18,20-22,27-28H,3,12-13,16-17,19,23-25H2,1-2,4-11H3/b18-15-,20-14-,22-21-.
What are the key properties of N,2-dimethyl-N-[[4-[(3Z,7Z,10Z)-2,6,9-trimethyl-9-propan-2-yl-6-propyltrideca-3,7,10-trien-2-yl]-3,4-dihydro-2H-pyrrol-5-yl]methyl]prop-2-en-1-amine?
N,2-dimethyl-N-[[4-[(3Z,7Z,10Z)-2,6,9-trimethyl-9-propan-2-yl-6-propyltrideca-3,7,10-trien-2-yl]-3,4-dihydro-2H-pyrrol-5-yl]methyl]prop-2-en-1-amine has a molecular weight of 468.81 g/mol, XLogP of 8.92, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[4-[(3Z,7Z,10Z)-2,6,9-trimethyl-9-propan-2-yl-6-propyltrideca-3,7,10-trien-2-yl]-3,4-dihydro-2H-pyrrol-5-yl]methyl]prop-2-en-1-amine is sourced from PubChem (CID 155070672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).