3-[(Z)-hept-4-enyl]-9-methyl-10-propan-2-yltridec-1-en-2-amine

C24H47N — CID 130370025

IUPAC3-[(Z)-hept-4-enyl]-9-methyl-10-propan-2-yltridec-1-en-2-amine
SMILESC=C(N)C(CCC/C=C\CC)CCCCCC(C)C(CCC)C(C)C
InChIInChI=1S/C24H47N/c1-7-9-10-11-14-18-23(22(6)25)19-15-12-13-17-21(5)24(16-8-2)20(3)4/h9-10,20-21,23-24H,6-8,11-19,25H2,1-5H3/b10-9-
InChIKeyKFAWDGJJIWFITN-KTKRTIGZSA-N
MW349.65 g/mol
LogP7.87
Rot. Bonds16

About 3-[(Z)-hept-4-enyl]-9-methyl-10-propan-2-yltridec-1-en-2-amine

3-[(Z)-hept-4-enyl]-9-methyl-10-propan-2-yltridec-1-en-2-amine (PubChem CID 130370025) has the molecular formula C24H47N and a molecular weight of 349.65 g/mol. Its IUPAC name is 3-[(Z)-hept-4-enyl]-9-methyl-10-propan-2-yltridec-1-en-2-amine.

Molecular Properties

Compound Name3-[(Z)-hept-4-enyl]-9-methyl-10-propan-2-yltridec-1-en-2-amine
PubChem CID130370025
Molecular FormulaC24H47N
Molecular Weight349.65 g/mol
Exact Mass349.37
IUPAC Name3-[(Z)-hept-4-enyl]-9-methyl-10-propan-2-yltridec-1-en-2-amine
SMILESC=C(N)C(CCC/C=C\CC)CCCCCC(C)C(CCC)C(C)C
InChIInChI=1S/C24H47N/c1-7-9-10-11-14-18-23(22(6)25)19-15-12-13-17-21(5)24(16-8-2)20(3)4/h9-10,20-21,23-24H,6-8,11-19,25H2,1-5H3/b10-9-
InChIKeyKFAWDGJJIWFITN-KTKRTIGZSA-N
XLogP7.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.65
LogP ≤ 57.87
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-hept-4-enyl]-9-methyl-10-propan-2-yltridec-1-en-2-amine?
The IUPAC name of 3-[(Z)-hept-4-enyl]-9-methyl-10-propan-2-yltridec-1-en-2-amine (CID 130370025) is 3-[(Z)-hept-4-enyl]-9-methyl-10-propan-2-yltridec-1-en-2-amine.
What is the SMILES notation for 3-[(Z)-hept-4-enyl]-9-methyl-10-propan-2-yltridec-1-en-2-amine?
The canonical SMILES for 3-[(Z)-hept-4-enyl]-9-methyl-10-propan-2-yltridec-1-en-2-amine is C=C(N)C(CCC/C=C\CC)CCCCCC(C)C(CCC)C(C)C.
What is the InChIKey of 3-[(Z)-hept-4-enyl]-9-methyl-10-propan-2-yltridec-1-en-2-amine?
The InChIKey is KFAWDGJJIWFITN-KTKRTIGZSA-N. The full InChI is InChI=1S/C24H47N/c1-7-9-10-11-14-18-23(22(6)25)19-15-12-13-17-21(5)24(16-8-2)20(3)4/h9-10,20-21,23-24H,6-8,11-19,25H2,1-5H3/b10-9-.
What are the key properties of 3-[(Z)-hept-4-enyl]-9-methyl-10-propan-2-yltridec-1-en-2-amine?
3-[(Z)-hept-4-enyl]-9-methyl-10-propan-2-yltridec-1-en-2-amine has a molecular weight of 349.65 g/mol, XLogP of 7.87, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-hept-4-enyl]-9-methyl-10-propan-2-yltridec-1-en-2-amine is sourced from PubChem (CID 130370025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).