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

C23H53ClN2 — CID 87375667

IUPACazane;4-chloropentan-1-amine;2-methylheptadecane
SMILESCC(Cl)CCCN.CCCCCCCCCCCCCCCC(C)C.N
InChIInChI=1S/C18H38.C5H12ClN.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;1H3
InChIKeyMBCSJEXDYCENIW-UHFFFAOYSA-N
MW393.14 g/mol
LogP8.64
Rot. Bonds17

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

azane;4-chloropentan-1-amine;2-methylheptadecane (PubChem CID 87375667) has the molecular formula C23H53ClN2 and a molecular weight of 393.14 g/mol. Its IUPAC name is azane;4-chloropentan-1-amine;2-methylheptadecane.

Molecular Properties

Compound Nameazane;4-chloropentan-1-amine;2-methylheptadecane
PubChem CID87375667
Molecular FormulaC23H53ClN2
Molecular Weight393.14 g/mol
Exact Mass392.39
IUPAC Nameazane;4-chloropentan-1-amine;2-methylheptadecane
SMILESCC(Cl)CCCN.CCCCCCCCCCCCCCCC(C)C.N
InChIInChI=1S/C18H38.C5H12ClN.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;1H3
InChIKeyMBCSJEXDYCENIW-UHFFFAOYSA-N
XLogP8.64
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.14
LogP ≤ 58.64
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'}

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Frequently Asked Questions

What is the IUPAC name of azane;4-chloropentan-1-amine;2-methylheptadecane?
The IUPAC name of azane;4-chloropentan-1-amine;2-methylheptadecane (CID 87375667) is azane;4-chloropentan-1-amine;2-methylheptadecane.
What is the SMILES notation for azane;4-chloropentan-1-amine;2-methylheptadecane?
The canonical SMILES for azane;4-chloropentan-1-amine;2-methylheptadecane is CC(Cl)CCCN.CCCCCCCCCCCCCCCC(C)C.N.
What is the InChIKey of azane;4-chloropentan-1-amine;2-methylheptadecane?
The InChIKey is MBCSJEXDYCENIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38.C5H12ClN.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;1H3.
What are the key properties of azane;4-chloropentan-1-amine;2-methylheptadecane?
azane;4-chloropentan-1-amine;2-methylheptadecane has a molecular weight of 393.14 g/mol, XLogP of 8.64, 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 is sourced from PubChem (CID 87375667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).