N-butyltetradec-9-en-2-amine

C18H37N — CID 54072024

IUPACN-butyltetradec-9-en-2-amine
SMILESCCCCC=CCCCCCCC(C)NCCCC
InChIInChI=1S/C18H37N/c1-4-6-8-9-10-11-12-13-14-15-16-18(3)19-17-7-5-2/h9-10,18-19H,4-8,11-17H2,1-3H3
InChIKeyLCXNIAAKFMQCDP-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.85
Rot. Bonds14

About N-butyltetradec-9-en-2-amine

N-butyltetradec-9-en-2-amine (PubChem CID 54072024) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is N-butyltetradec-9-en-2-amine.

Molecular Properties

Compound NameN-butyltetradec-9-en-2-amine
PubChem CID54072024
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC NameN-butyltetradec-9-en-2-amine
SMILESCCCCC=CCCCCCCC(C)NCCCC
InChIInChI=1S/C18H37N/c1-4-6-8-9-10-11-12-13-14-15-16-18(3)19-17-7-5-2/h9-10,18-19H,4-8,11-17H2,1-3H3
InChIKeyLCXNIAAKFMQCDP-UHFFFAOYSA-N
XLogP5.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.85
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 N-butyltetradec-9-en-2-amine?
The IUPAC name of N-butyltetradec-9-en-2-amine (CID 54072024) is N-butyltetradec-9-en-2-amine.
What is the SMILES notation for N-butyltetradec-9-en-2-amine?
The canonical SMILES for N-butyltetradec-9-en-2-amine is CCCCC=CCCCCCCC(C)NCCCC.
What is the InChIKey of N-butyltetradec-9-en-2-amine?
The InChIKey is LCXNIAAKFMQCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-4-6-8-9-10-11-12-13-14-15-16-18(3)19-17-7-5-2/h9-10,18-19H,4-8,11-17H2,1-3H3.
What are the key properties of N-butyltetradec-9-en-2-amine?
N-butyltetradec-9-en-2-amine has a molecular weight of 267.50 g/mol, XLogP of 5.85, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyltetradec-9-en-2-amine is sourced from PubChem (CID 54072024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).