(Z)-13-(4-aminobutoxy)tridec-5-en-1-amine

C17H36N2O — CID 89036460

IUPAC(Z)-13-(4-aminobutoxy)tridec-5-en-1-amine
SMILESNCCCC/C=C\CCCCCCCOCCCCN
InChIInChI=1S/C17H36N2O/c18-14-10-8-6-4-2-1-3-5-7-9-12-16-20-17-13-11-15-19/h2,4H,1,3,5-19H2/b4-2-
InChIKeyNXCNIFBEMBVUKU-RQOWECAXSA-N
MW284.49 g/mol
LogP3.77
Rot. Bonds16

About (Z)-13-(4-aminobutoxy)tridec-5-en-1-amine

(Z)-13-(4-aminobutoxy)tridec-5-en-1-amine (PubChem CID 89036460) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is (Z)-13-(4-aminobutoxy)tridec-5-en-1-amine.

Molecular Properties

Compound Name(Z)-13-(4-aminobutoxy)tridec-5-en-1-amine
PubChem CID89036460
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name(Z)-13-(4-aminobutoxy)tridec-5-en-1-amine
SMILESNCCCC/C=C\CCCCCCCOCCCCN
InChIInChI=1S/C17H36N2O/c18-14-10-8-6-4-2-1-3-5-7-9-12-16-20-17-13-11-15-19/h2,4H,1,3,5-19H2/b4-2-
InChIKeyNXCNIFBEMBVUKU-RQOWECAXSA-N
XLogP3.77
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

11-(11-aminoundecoxy)undecan-1-amine
CID 19099845
tetradec-7-ene-1,14-diamine
CID 91430908
3-tetradec-9-enoxypropan-1-amine;hydrobromide
CID 173150601
2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 139597376
6-[2-(3-aminopropoxy)ethoxy]hexan-1-amine
CID 87252227
5-(2-aminoethoxy)pentan-1-amine
CID 58473832
4-[2-(4-aminobutoxy)ethoxy]butan-1-amine
CID 87873641
(Z)-17-cyclopentyloxyheptadec-8-en-1-amine
CID 155456383
4-but-3-enoxybutan-1-amine
CID 62443068
(Z)-1-butoxyheptadec-8-ene
CID 87205101
4-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]butan-1-amine
CID 22901826
octadec-9-en-1-amine
CID 8219

Frequently Asked Questions

What is the IUPAC name of (Z)-13-(4-aminobutoxy)tridec-5-en-1-amine?
The IUPAC name of (Z)-13-(4-aminobutoxy)tridec-5-en-1-amine (CID 89036460) is (Z)-13-(4-aminobutoxy)tridec-5-en-1-amine.
What is the SMILES notation for (Z)-13-(4-aminobutoxy)tridec-5-en-1-amine?
The canonical SMILES for (Z)-13-(4-aminobutoxy)tridec-5-en-1-amine is NCCCC/C=C\CCCCCCCOCCCCN.
What is the InChIKey of (Z)-13-(4-aminobutoxy)tridec-5-en-1-amine?
The InChIKey is NXCNIFBEMBVUKU-RQOWECAXSA-N. The full InChI is InChI=1S/C17H36N2O/c18-14-10-8-6-4-2-1-3-5-7-9-12-16-20-17-13-11-15-19/h2,4H,1,3,5-19H2/b4-2-.
What are the key properties of (Z)-13-(4-aminobutoxy)tridec-5-en-1-amine?
(Z)-13-(4-aminobutoxy)tridec-5-en-1-amine has a molecular weight of 284.49 g/mol, XLogP of 3.77, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-13-(4-aminobutoxy)tridec-5-en-1-amine is sourced from PubChem (CID 89036460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).