4-chloro-N,N,4-trimethylpentan-1-amine

C8H18ClN — CID 2780460

IUPAC4-chloro-N,N,4-trimethylpentan-1-amine
SMILESCN(C)CCCC(C)(C)Cl
InChIInChI=1S/C8H18ClN/c1-8(2,9)6-5-7-10(3)4/h5-7H2,1-4H3
InChIKeyRZJCFMJLGGKXSV-UHFFFAOYSA-N
MW163.69 g/mol
LogP2.35
Rot. Bonds4

About 4-chloro-N,N,4-trimethylpentan-1-amine

4-chloro-N,N,4-trimethylpentan-1-amine (PubChem CID 2780460) has the molecular formula C8H18ClN and a molecular weight of 163.69 g/mol. Its IUPAC name is 4-chloro-N,N,4-trimethylpentan-1-amine.

Molecular Properties

Compound Name4-chloro-N,N,4-trimethylpentan-1-amine
PubChem CID2780460
Molecular FormulaC8H18ClN
Molecular Weight163.69 g/mol
Exact Mass163.11
IUPAC Name4-chloro-N,N,4-trimethylpentan-1-amine
SMILESCN(C)CCCC(C)(C)Cl
InChIInChI=1S/C8H18ClN/c1-8(2,9)6-5-7-10(3)4/h5-7H2,1-4H3
InChIKeyRZJCFMJLGGKXSV-UHFFFAOYSA-N
XLogP2.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.69
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-(dimethylamino)-3-methylhexan-3-ol
CID 12542595
ethane;4,4,4-trifluoro-N,N-dimethylbutan-1-amine
CID 166092761
1-N,1-N,6-N,6-N,4,4,5,5,6-nonamethylheptane-1,6-diamine
CID 140667083
N,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride
CID 20545505
3-[2-(dimethylamino)ethyl]-N,N,N',N',3-pentamethylpentane-1,5-diamine
CID 89049269
N,N,N',N',3,3-hexamethylpentane-1,5-diamine
CID 143746016
2-chloro-2-methylheptadecane
CID 19869804
N,N,8,8-tetramethyldecan-1-amine
CID 90127561
5-(dimethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063094
N,N,N',N'-tetramethylpentane-1,5-diamine;dihydrobromide
CID 173097999
azane;2-chloro-2-methyltridecane
CID 87093642
iron(5+);N,N,N',N'-tetramethylhexane-1,6-diamine;pentacyanide
CID 88790797

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N,4-trimethylpentan-1-amine?
The IUPAC name of 4-chloro-N,N,4-trimethylpentan-1-amine (CID 2780460) is 4-chloro-N,N,4-trimethylpentan-1-amine.
What is the SMILES notation for 4-chloro-N,N,4-trimethylpentan-1-amine?
The canonical SMILES for 4-chloro-N,N,4-trimethylpentan-1-amine is CN(C)CCCC(C)(C)Cl.
What is the InChIKey of 4-chloro-N,N,4-trimethylpentan-1-amine?
The InChIKey is RZJCFMJLGGKXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClN/c1-8(2,9)6-5-7-10(3)4/h5-7H2,1-4H3.
What are the key properties of 4-chloro-N,N,4-trimethylpentan-1-amine?
4-chloro-N,N,4-trimethylpentan-1-amine has a molecular weight of 163.69 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N,4-trimethylpentan-1-amine is sourced from PubChem (CID 2780460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).