7-hexylpentadecan-7-amine;hydrochloride

C21H46ClN — CID 173241489

IUPAC7-hexylpentadecan-7-amine;hydrochloride
SMILESCCCCCCCCC(N)(CCCCCC)CCCCCC.Cl
InChIInChI=1S/C21H45N.ClH/c1-4-7-10-13-14-17-20-21(22,18-15-11-8-5-2)19-16-12-9-6-3;/h4-20,22H2,1-3H3;1H
InChIKeySPVFGPOYGHBAAI-UHFFFAOYSA-N
MW348.06 g/mol
LogP7.80
Rot. Bonds17

About 7-hexylpentadecan-7-amine;hydrochloride

7-hexylpentadecan-7-amine;hydrochloride (PubChem CID 173241489) has the molecular formula C21H46ClN and a molecular weight of 348.06 g/mol. Its IUPAC name is 7-hexylpentadecan-7-amine;hydrochloride.

Molecular Properties

Compound Name7-hexylpentadecan-7-amine;hydrochloride
PubChem CID173241489
Molecular FormulaC21H46ClN
Molecular Weight348.06 g/mol
Exact Mass347.33
IUPAC Name7-hexylpentadecan-7-amine;hydrochloride
SMILESCCCCCCCCC(N)(CCCCCC)CCCCCC.Cl
InChIInChI=1S/C21H45N.ClH/c1-4-7-10-13-14-17-20-21(22,18-15-11-8-5-2)19-16-12-9-6-3;/h4-20,22H2,1-3H3;1H
InChIKeySPVFGPOYGHBAAI-UHFFFAOYSA-N
XLogP7.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.06
LogP ≤ 57.80
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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Related Compounds

9-heptylheptadecan-9-amine;hydrochloride
CID 173435584
15-tetradecylnonacosan-15-amine;hydrochloride
CID 173325035
12-undecyltetracosan-12-amine;hydrochloride
CID 173403860
11-decylhenicosan-11-amine
CID 19847882
10-nonylnonadecan-10-amine;hydroiodide
CID 173404185
12-undecyltricosan-12-amine;hydrate
CID 173445536
5-butylhexadecan-5-amine
CID 22244897
4-propylpentadecan-4-amine
CID 22244918
4-propylundecan-4-amine
CID 166728969
4-pentadecylheptane-1,4,7-triamine
CID 156536321
3-ethyltetracosan-3-amine;hydrochloride
CID 173207893
3-amino-3-hexadecylpentane-1,5-diol;hydrochloride
CID 173408839

Frequently Asked Questions

What is the IUPAC name of 7-hexylpentadecan-7-amine;hydrochloride?
The IUPAC name of 7-hexylpentadecan-7-amine;hydrochloride (CID 173241489) is 7-hexylpentadecan-7-amine;hydrochloride.
What is the SMILES notation for 7-hexylpentadecan-7-amine;hydrochloride?
The canonical SMILES for 7-hexylpentadecan-7-amine;hydrochloride is CCCCCCCCC(N)(CCCCCC)CCCCCC.Cl.
What is the InChIKey of 7-hexylpentadecan-7-amine;hydrochloride?
The InChIKey is SPVFGPOYGHBAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45N.ClH/c1-4-7-10-13-14-17-20-21(22,18-15-11-8-5-2)19-16-12-9-6-3;/h4-20,22H2,1-3H3;1H.
What are the key properties of 7-hexylpentadecan-7-amine;hydrochloride?
7-hexylpentadecan-7-amine;hydrochloride has a molecular weight of 348.06 g/mol, XLogP of 7.80, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hexylpentadecan-7-amine;hydrochloride is sourced from PubChem (CID 173241489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).