azane;4-chloropentan-1-amine;2-methylheptadecane;hydrochloride

C23H54Cl2N2 — CID 173206707

IUPACazane;4-chloropentan-1-amine;2-methylheptadecane;hydrochloride
SMILESCC(Cl)CCCN.CCCCCCCCCCCCCCCC(C)C.Cl.N
InChIInChI=1S/C18H38.C5H12ClN.ClH.H3N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)3;1-5(6)3-2-4-7;;/h18H,4-17H2,1-3H3;5H,2-4,7H2,1H3;1H;1H3
InChIKeyXAERVKRWNCTVEB-UHFFFAOYSA-N
MW429.61 g/mol
LogP9.06
Rot. Bonds17

About azane;4-chloropentan-1-amine;2-methylheptadecane;hydrochloride

azane;4-chloropentan-1-amine;2-methylheptadecane;hydrochloride (PubChem CID 173206707) has the molecular formula C23H54Cl2N2 and a molecular weight of 429.61 g/mol. Its IUPAC name is azane;4-chloropentan-1-amine;2-methylheptadecane;hydrochloride.

Molecular Properties

Compound Nameazane;4-chloropentan-1-amine;2-methylheptadecane;hydrochloride
PubChem CID173206707
Molecular FormulaC23H54Cl2N2
Molecular Weight429.61 g/mol
Exact Mass428.37
IUPAC Nameazane;4-chloropentan-1-amine;2-methylheptadecane;hydrochloride
SMILESCC(Cl)CCCN.CCCCCCCCCCCCCCCC(C)C.Cl.N
InChIInChI=1S/C18H38.C5H12ClN.ClH.H3N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)3;1-5(6)3-2-4-7;;/h18H,4-17H2,1-3H3;5H,2-4,7H2,1H3;1H;1H3
InChIKeyXAERVKRWNCTVEB-UHFFFAOYSA-N
XLogP9.06
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.61
LogP ≤ 59.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze azane;4-chloropentan-1-amine;2-methylheptadecane;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;2-chloropentadecane
CID 88746937
azane;2-methyloctadecane
CID 175414560
2-chloro-9-methyldecane
CID 174557182
18-methylnonadecan-1-amine;hydrochloride
CID 173047380
2-methyldecane
CID 23415
2-methylpentaoctacontane
CID 90745672
2-methyltetratriacontane
CID 14275207
2-methyloctacosane
CID 519147
2-methylheptane;propan-2-amine;hydrochloride
CID 20975779
hydroxylamine;2-methylnonadecane
CID 87902402
chlorosilane;2-methylundecane
CID 173228312
2-methyltricosane;hydrate
CID 172783998

Frequently Asked Questions

What is the IUPAC name of azane;4-chloropentan-1-amine;2-methylheptadecane;hydrochloride?
The IUPAC name of azane;4-chloropentan-1-amine;2-methylheptadecane;hydrochloride (CID 173206707) is azane;4-chloropentan-1-amine;2-methylheptadecane;hydrochloride.
What is the SMILES notation for azane;4-chloropentan-1-amine;2-methylheptadecane;hydrochloride?
The canonical SMILES for azane;4-chloropentan-1-amine;2-methylheptadecane;hydrochloride is CC(Cl)CCCN.CCCCCCCCCCCCCCCC(C)C.Cl.N.
What is the InChIKey of azane;4-chloropentan-1-amine;2-methylheptadecane;hydrochloride?
The InChIKey is XAERVKRWNCTVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38.C5H12ClN.ClH.H3N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)3;1-5(6)3-2-4-7;;/h18H,4-17H2,1-3H3;5H,2-4,7H2,1H3;1H;1H3.
What are the key properties of azane;4-chloropentan-1-amine;2-methylheptadecane;hydrochloride?
azane;4-chloropentan-1-amine;2-methylheptadecane;hydrochloride has a molecular weight of 429.61 g/mol, XLogP of 9.06, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-chloropentan-1-amine;2-methylheptadecane;hydrochloride is sourced from PubChem (CID 173206707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).