4-prop-2-enylpentadec-1-en-4-amine;hydrobromide

C18H36BrN — CID 175561097

IUPAC4-prop-2-enylpentadec-1-en-4-amine;hydrobromide
SMILESBr.C=CCC(N)(CC=C)CCCCCCCCCCC
InChIInChI=1S/C18H35N.BrH/c1-4-7-8-9-10-11-12-13-14-17-18(19,15-5-2)16-6-3;/h5-6H,2-4,7-17,19H2,1H3;1H
InChIKeyNLQTWYRWOALJQC-UHFFFAOYSA-N
MW346.40 g/mol
LogP6.33
Rot. Bonds14

About 4-prop-2-enylpentadec-1-en-4-amine;hydrobromide

4-prop-2-enylpentadec-1-en-4-amine;hydrobromide (PubChem CID 175561097) has the molecular formula C18H36BrN and a molecular weight of 346.40 g/mol. Its IUPAC name is 4-prop-2-enylpentadec-1-en-4-amine;hydrobromide.

Molecular Properties

Compound Name4-prop-2-enylpentadec-1-en-4-amine;hydrobromide
PubChem CID175561097
Molecular FormulaC18H36BrN
Molecular Weight346.40 g/mol
Exact Mass345.20
IUPAC Name4-prop-2-enylpentadec-1-en-4-amine;hydrobromide
SMILESBr.C=CCC(N)(CC=C)CCCCCCCCCCC
InChIInChI=1S/C18H35N.BrH/c1-4-7-8-9-10-11-12-13-14-17-18(19,15-5-2)16-6-3;/h5-6H,2-4,7-17,19H2,1H3;1H
InChIKeyNLQTWYRWOALJQC-UHFFFAOYSA-N
XLogP6.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.40
LogP ≤ 56.33
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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Related Compounds

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CID 19028625
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CID 19847882
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CID 173207893
12-undecyltetracosan-12-amine;hydrochloride
CID 173403860
5-butylhexadecan-5-amine
CID 22244897
3-ethyloctan-3-amine
CID 19350108
12-undecyltricosan-12-amine;hydrate
CID 173445536
9-heptylheptadecan-9-amine;hydrochloride
CID 173435584
15-tetradecylnonacosan-15-amine;hydrochloride
CID 173325035
7-hexylpentadecan-7-amine;hydrochloride
CID 173241489
10-nonylnonadecan-10-amine;hydroiodide
CID 173404185
4-chloro-4-prop-2-enylhexadec-1-ene
CID 88822813

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enylpentadec-1-en-4-amine;hydrobromide?
The IUPAC name of 4-prop-2-enylpentadec-1-en-4-amine;hydrobromide (CID 175561097) is 4-prop-2-enylpentadec-1-en-4-amine;hydrobromide.
What is the SMILES notation for 4-prop-2-enylpentadec-1-en-4-amine;hydrobromide?
The canonical SMILES for 4-prop-2-enylpentadec-1-en-4-amine;hydrobromide is Br.C=CCC(N)(CC=C)CCCCCCCCCCC.
What is the InChIKey of 4-prop-2-enylpentadec-1-en-4-amine;hydrobromide?
The InChIKey is NLQTWYRWOALJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N.BrH/c1-4-7-8-9-10-11-12-13-14-17-18(19,15-5-2)16-6-3;/h5-6H,2-4,7-17,19H2,1H3;1H.
What are the key properties of 4-prop-2-enylpentadec-1-en-4-amine;hydrobromide?
4-prop-2-enylpentadec-1-en-4-amine;hydrobromide has a molecular weight of 346.40 g/mol, XLogP of 6.33, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enylpentadec-1-en-4-amine;hydrobromide is sourced from PubChem (CID 175561097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).