N-butyldec-1-en-2-amine

C14H29N — CID 130272398

IUPACN-butyldec-1-en-2-amine
SMILESC=C(CCCCCCCC)NCCCC
InChIInChI=1S/C14H29N/c1-4-6-8-9-10-11-12-14(3)15-13-7-5-2/h15H,3-13H2,1-2H3
InChIKeyURCKCHGXWJIBPV-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.64
Rot. Bonds11

About N-butyldec-1-en-2-amine

N-butyldec-1-en-2-amine (PubChem CID 130272398) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N-butyldec-1-en-2-amine.

Molecular Properties

Compound NameN-butyldec-1-en-2-amine
PubChem CID130272398
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN-butyldec-1-en-2-amine
SMILESC=C(CCCCCCCC)NCCCC
InChIInChI=1S/C14H29N/c1-4-6-8-9-10-11-12-14(3)15-13-7-5-2/h15H,3-13H2,1-2H3
InChIKeyURCKCHGXWJIBPV-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyldec-1-en-2-amine?
The IUPAC name of N-butyldec-1-en-2-amine (CID 130272398) is N-butyldec-1-en-2-amine.
What is the SMILES notation for N-butyldec-1-en-2-amine?
The canonical SMILES for N-butyldec-1-en-2-amine is C=C(CCCCCCCC)NCCCC.
What is the InChIKey of N-butyldec-1-en-2-amine?
The InChIKey is URCKCHGXWJIBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-4-6-8-9-10-11-12-14(3)15-13-7-5-2/h15H,3-13H2,1-2H3.
What are the key properties of N-butyldec-1-en-2-amine?
N-butyldec-1-en-2-amine has a molecular weight of 211.39 g/mol, XLogP of 4.64, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyldec-1-en-2-amine is sourced from PubChem (CID 130272398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).