octadecan-9-amine;hydrochloride

C18H40ClN — CID 19002510

IUPACoctadecan-9-amine;hydrochloride
SMILESCCCCCCCCCC(N)CCCCCCCC.Cl
InChIInChI=1S/C18H39N.ClH/c1-3-5-7-9-11-13-15-17-18(19)16-14-12-10-8-6-4-2;/h18H,3-17,19H2,1-2H3;1H
InChIKeyUKSNONZNPOSKFX-UHFFFAOYSA-N
MW305.98 g/mol
LogP6.63
Rot. Bonds15

About octadecan-9-amine;hydrochloride

octadecan-9-amine;hydrochloride (PubChem CID 19002510) has the molecular formula C18H40ClN and a molecular weight of 305.98 g/mol. Its IUPAC name is octadecan-9-amine;hydrochloride.

Molecular Properties

Compound Nameoctadecan-9-amine;hydrochloride
PubChem CID19002510
Molecular FormulaC18H40ClN
Molecular Weight305.98 g/mol
Exact Mass305.28
IUPAC Nameoctadecan-9-amine;hydrochloride
SMILESCCCCCCCCCC(N)CCCCCCCC.Cl
InChIInChI=1S/C18H39N.ClH/c1-3-5-7-9-11-13-15-17-18(19)16-14-12-10-8-6-4-2;/h18H,3-17,19H2,1-2H3;1H
InChIKeyUKSNONZNPOSKFX-UHFFFAOYSA-N
XLogP6.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.98
LogP ≤ 56.63
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

henicosane-8,14-diamine;dihydrochloride
CID 170909168
pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
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nonan-4-amine;hydrochloride
CID 86176929
heptadecan-4-amine;hydrochloride
CID 173248342
decan-4-amine;hydrochloride
CID 87728109
(4R)-tridecan-4-amine
CID 150614684
icosane-5,10,16-triamine
CID 88870264
tritriactan-3-amine;hydrochloride
CID 173389490
3-aminononan-1-ol;hydrochloride
CID 55255753
nonadecane-1,13-diamine
CID 102135569
nonadecane-2,14-diamine
CID 89095951

Frequently Asked Questions

What is the IUPAC name of octadecan-9-amine;hydrochloride?
The IUPAC name of octadecan-9-amine;hydrochloride (CID 19002510) is octadecan-9-amine;hydrochloride.
What is the SMILES notation for octadecan-9-amine;hydrochloride?
The canonical SMILES for octadecan-9-amine;hydrochloride is CCCCCCCCCC(N)CCCCCCCC.Cl.
What is the InChIKey of octadecan-9-amine;hydrochloride?
The InChIKey is UKSNONZNPOSKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N.ClH/c1-3-5-7-9-11-13-15-17-18(19)16-14-12-10-8-6-4-2;/h18H,3-17,19H2,1-2H3;1H.
What are the key properties of octadecan-9-amine;hydrochloride?
octadecan-9-amine;hydrochloride has a molecular weight of 305.98 g/mol, XLogP of 6.63, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octadecan-9-amine;hydrochloride is sourced from PubChem (CID 19002510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).