N'-tetradecylbutane-1,4-diamine;hydrochloride

C18H41ClN2 — CID 73211859

IUPACN'-tetradecylbutane-1,4-diamine;hydrochloride
SMILESCCCCCCCCCCCCCCNCCCCN.Cl
InChIInChI=1S/C18H40N2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19;/h20H,2-19H2,1H3;1H
InChIKeyZTUKRGJPCOKRPD-UHFFFAOYSA-N
MW320.99 g/mol
LogP5.44
Rot. Bonds17

About N'-tetradecylbutane-1,4-diamine;hydrochloride

N'-tetradecylbutane-1,4-diamine;hydrochloride (PubChem CID 73211859) has the molecular formula C18H41ClN2 and a molecular weight of 320.99 g/mol. Its IUPAC name is N'-tetradecylbutane-1,4-diamine;hydrochloride.

Molecular Properties

Compound NameN'-tetradecylbutane-1,4-diamine;hydrochloride
PubChem CID73211859
Molecular FormulaC18H41ClN2
Molecular Weight320.99 g/mol
Exact Mass320.30
IUPAC NameN'-tetradecylbutane-1,4-diamine;hydrochloride
SMILESCCCCCCCCCCCCCCNCCCCN.Cl
InChIInChI=1S/C18H40N2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19;/h20H,2-19H2,1H3;1H
InChIKeyZTUKRGJPCOKRPD-UHFFFAOYSA-N
XLogP5.44
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.99
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-pentyltridecane-1,13-diamine
CID 174397381
N'-dodecylheptane-1,7-diamine
CID 122537296
heptan-1-amine;N-nonylnonan-1-amine
CID 175163208
hexan-1-amine;N-hexylhexan-1-amine
CID 118077352
N'-nonylpropane-1,3-diamine;hydrochloride
CID 170875320
N'-butyloctadecane-1,18-diamine
CID 19427141
ethane;N'-pentylbutane-1,4-diamine
CID 171066485
N'-octadecylpropane-1,3-diamine;dihydrofluoride
CID 174890769
N'-docosylethane-1,2-diamine
CID 18783196
N-hexylhexan-1-amine;propan-1-amine
CID 87675299
N'-henicosylethane-1,2-diamine
CID 22930907
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;hexan-1-amine
CID 87602895

Frequently Asked Questions

What is the IUPAC name of N'-tetradecylbutane-1,4-diamine;hydrochloride?
The IUPAC name of N'-tetradecylbutane-1,4-diamine;hydrochloride (CID 73211859) is N'-tetradecylbutane-1,4-diamine;hydrochloride.
What is the SMILES notation for N'-tetradecylbutane-1,4-diamine;hydrochloride?
The canonical SMILES for N'-tetradecylbutane-1,4-diamine;hydrochloride is CCCCCCCCCCCCCCNCCCCN.Cl.
What is the InChIKey of N'-tetradecylbutane-1,4-diamine;hydrochloride?
The InChIKey is ZTUKRGJPCOKRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19;/h20H,2-19H2,1H3;1H.
What are the key properties of N'-tetradecylbutane-1,4-diamine;hydrochloride?
N'-tetradecylbutane-1,4-diamine;hydrochloride has a molecular weight of 320.99 g/mol, XLogP of 5.44, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tetradecylbutane-1,4-diamine;hydrochloride is sourced from PubChem (CID 73211859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).