heptadecan-4-amine;hydrochloride

C17H38ClN — CID 173248342

IUPACheptadecan-4-amine;hydrochloride
SMILESCCCCCCCCCCCCCC(N)CCC.Cl
InChIInChI=1S/C17H37N.ClH/c1-3-5-6-7-8-9-10-11-12-13-14-16-17(18)15-4-2;/h17H,3-16,18H2,1-2H3;1H
InChIKeyXYKWATHNEDLGOX-UHFFFAOYSA-N
MW291.95 g/mol
LogP6.24
Rot. Bonds14

About heptadecan-4-amine;hydrochloride

heptadecan-4-amine;hydrochloride (PubChem CID 173248342) has the molecular formula C17H38ClN and a molecular weight of 291.95 g/mol. Its IUPAC name is heptadecan-4-amine;hydrochloride.

Molecular Properties

Compound Nameheptadecan-4-amine;hydrochloride
PubChem CID173248342
Molecular FormulaC17H38ClN
Molecular Weight291.95 g/mol
Exact Mass291.27
IUPAC Nameheptadecan-4-amine;hydrochloride
SMILESCCCCCCCCCCCCCC(N)CCC.Cl
InChIInChI=1S/C17H37N.ClH/c1-3-5-6-7-8-9-10-11-12-13-14-16-17(18)15-4-2;/h17H,3-16,18H2,1-2H3;1H
InChIKeyXYKWATHNEDLGOX-UHFFFAOYSA-N
XLogP6.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.95
LogP ≤ 56.24
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

nonan-4-amine;hydrochloride
CID 86176929
decan-4-amine;hydrochloride
CID 87728109
(4R)-tridecan-4-amine
CID 150614684
henicosane-8,14-diamine;dihydrochloride
CID 170909168
octadecan-9-amine;hydrochloride
CID 19002510
pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
icosane-5,10,16-triamine
CID 88870264
tritriactan-3-amine;hydrochloride
CID 173389490
tetradecane-3,11-diamine
CID 170279817
3-aminononan-1-ol;hydrochloride
CID 55255753
undecane-1,6-diamine
CID 18419788

Frequently Asked Questions

What is the IUPAC name of heptadecan-4-amine;hydrochloride?
The IUPAC name of heptadecan-4-amine;hydrochloride (CID 173248342) is heptadecan-4-amine;hydrochloride.
What is the SMILES notation for heptadecan-4-amine;hydrochloride?
The canonical SMILES for heptadecan-4-amine;hydrochloride is CCCCCCCCCCCCCC(N)CCC.Cl.
What is the InChIKey of heptadecan-4-amine;hydrochloride?
The InChIKey is XYKWATHNEDLGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N.ClH/c1-3-5-6-7-8-9-10-11-12-13-14-16-17(18)15-4-2;/h17H,3-16,18H2,1-2H3;1H.
What are the key properties of heptadecan-4-amine;hydrochloride?
heptadecan-4-amine;hydrochloride has a molecular weight of 291.95 g/mol, XLogP of 6.24, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for heptadecan-4-amine;hydrochloride is sourced from PubChem (CID 173248342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).