1-chloropentane-1,1-diamine

C5H13ClN2 — CID 175198933

IUPAC1-chloropentane-1,1-diamine
SMILESCCCCC(N)(N)Cl
InChIInChI=1S/C5H13ClN2/c1-2-3-4-5(6,7)8/h2-4,7-8H2,1H3
InChIKeyDWADOJIAKJLCHW-UHFFFAOYSA-N
MW136.63 g/mol
LogP0.99
Rot. Bonds3

About 1-chloropentane-1,1-diamine

1-chloropentane-1,1-diamine (PubChem CID 175198933) has the molecular formula C5H13ClN2 and a molecular weight of 136.63 g/mol. Its IUPAC name is 1-chloropentane-1,1-diamine.

Molecular Properties

Compound Name1-chloropentane-1,1-diamine
PubChem CID175198933
Molecular FormulaC5H13ClN2
Molecular Weight136.63 g/mol
Exact Mass136.08
IUPAC Name1-chloropentane-1,1-diamine
SMILESCCCCC(N)(N)Cl
InChIInChI=1S/C5H13ClN2/c1-2-3-4-5(6,7)8/h2-4,7-8H2,1H3
InChIKeyDWADOJIAKJLCHW-UHFFFAOYSA-N
XLogP0.99
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.63
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

5-chlorononan-5-amine
CID 88596915
5,5-dimethylnonane;bis(2-methylpropan-2-amine)
CID 159841481
3-ethylheptan-3-amine
CID 12708037
5-butylhexadecan-5-amine
CID 22244897
(4R)-4-chloro-4-methyloctane
CID 129374949
azane;5-butyl-5-chlorodecane
CID 88839636
5,5-dichlorododecane
CID 90767172
5-ethylnonan-5-amine;hydrochloride
CID 174766496
2,2,3,3-tetrachloroheptane
CID 54246303
4-bromooctan-4-amine
CID 141227061
1-chlorohexane-1,1,2,2-tetrathiol
CID 90184889
2-chloro-2-methylhexane;cyclobutane
CID 175373010

Frequently Asked Questions

What is the IUPAC name of 1-chloropentane-1,1-diamine?
The IUPAC name of 1-chloropentane-1,1-diamine (CID 175198933) is 1-chloropentane-1,1-diamine.
What is the SMILES notation for 1-chloropentane-1,1-diamine?
The canonical SMILES for 1-chloropentane-1,1-diamine is CCCCC(N)(N)Cl.
What is the InChIKey of 1-chloropentane-1,1-diamine?
The InChIKey is DWADOJIAKJLCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13ClN2/c1-2-3-4-5(6,7)8/h2-4,7-8H2,1H3.
What are the key properties of 1-chloropentane-1,1-diamine?
1-chloropentane-1,1-diamine has a molecular weight of 136.63 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropentane-1,1-diamine is sourced from PubChem (CID 175198933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).