azane;5-chloropentan-1-amine;2-methylheptadecane

C23H53ClN2 — CID 87375688

IUPACazane;5-chloropentan-1-amine;2-methylheptadecane
SMILESCCCCCCCCCCCCCCCC(C)C.N.NCCCCCCl
InChIInChI=1S/C18H38.C5H12ClN.H3N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)3;6-4-2-1-3-5-7;/h18H,4-17H2,1-3H3;1-5,7H2;1H3
InChIKeyQOUZLBOBNXBVDE-UHFFFAOYSA-N
MW393.14 g/mol
LogP8.64
Rot. Bonds18

About azane;5-chloropentan-1-amine;2-methylheptadecane

azane;5-chloropentan-1-amine;2-methylheptadecane (PubChem CID 87375688) has the molecular formula C23H53ClN2 and a molecular weight of 393.14 g/mol. Its IUPAC name is azane;5-chloropentan-1-amine;2-methylheptadecane.

Molecular Properties

Compound Nameazane;5-chloropentan-1-amine;2-methylheptadecane
PubChem CID87375688
Molecular FormulaC23H53ClN2
Molecular Weight393.14 g/mol
Exact Mass392.39
IUPAC Nameazane;5-chloropentan-1-amine;2-methylheptadecane
SMILESCCCCCCCCCCCCCCCC(C)C.N.NCCCCCCl
InChIInChI=1S/C18H38.C5H12ClN.H3N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)3;6-4-2-1-3-5-7;/h18H,4-17H2,1-3H3;1-5,7H2;1H3
InChIKeyQOUZLBOBNXBVDE-UHFFFAOYSA-N
XLogP8.64
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
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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Related Compounds

1-Chloro-4-methylundecan-5-amine
CID 19775765
1-Chloroicosan-1-amine
CID 21563059
2-(2-Chloroethyl)octadecan-1-amine
CID 57034484
11-Chlorooctadecan-1-amine
CID 57038642
Azane;4-chloropentan-1-amine;2-methylheptadecane
CID 87375667
1-Chlorohexadecan-1-amine
CID 87436980
2-Chloro-2-methyltridecane;tetradecan-1-amine
CID 88418652
8,11-Dichloro-5-(1-chloroethyl)-2,6,9-trimethylundecan-3-amine
CID 89245991
1-Chlorooctadecan-1-amine
CID 89487668
3-Chloro-3-hexylnonan-1-amine
CID 90301829
3-Chloro-3-heptyldecan-1-amine
CID 90301854
3-Chloro-3-decyltridecan-1-amine
CID 90302111

Frequently Asked Questions

What is the IUPAC name of azane;5-chloropentan-1-amine;2-methylheptadecane?
The IUPAC name of azane;5-chloropentan-1-amine;2-methylheptadecane (CID 87375688) is azane;5-chloropentan-1-amine;2-methylheptadecane.
What is the SMILES notation for azane;5-chloropentan-1-amine;2-methylheptadecane?
The canonical SMILES for azane;5-chloropentan-1-amine;2-methylheptadecane is CCCCCCCCCCCCCCCC(C)C.N.NCCCCCCl.
What is the InChIKey of azane;5-chloropentan-1-amine;2-methylheptadecane?
The InChIKey is QOUZLBOBNXBVDE-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;6-4-2-1-3-5-7;/h18H,4-17H2,1-3H3;1-5,7H2;1H3.
What are the key properties of azane;5-chloropentan-1-amine;2-methylheptadecane?
azane;5-chloropentan-1-amine;2-methylheptadecane has a molecular weight of 393.14 g/mol, XLogP of 8.64, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;5-chloropentan-1-amine;2-methylheptadecane is sourced from PubChem (CID 87375688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).