1-chlorohexane-1,2-diamine

C6H15ClN2 — CID 151875829

IUPAC1-chlorohexane-1,2-diamine
SMILESCCCCC(N)C(N)Cl
InChIInChI=1S/C6H15ClN2/c1-2-3-4-5(8)6(7)9/h5-6H,2-4,8-9H2,1H3
InChIKeySNQRGYHRXNXQHO-UHFFFAOYSA-N
MW150.65 g/mol
LogP1.03
Rot. Bonds4

About 1-chlorohexane-1,2-diamine

1-chlorohexane-1,2-diamine (PubChem CID 151875829) has the molecular formula C6H15ClN2 and a molecular weight of 150.65 g/mol. Its IUPAC name is 1-chlorohexane-1,2-diamine.

Molecular Properties

Compound Name1-chlorohexane-1,2-diamine
PubChem CID151875829
Molecular FormulaC6H15ClN2
Molecular Weight150.65 g/mol
Exact Mass150.09
IUPAC Name1-chlorohexane-1,2-diamine
SMILESCCCCC(N)C(N)Cl
InChIInChI=1S/C6H15ClN2/c1-2-3-4-5(8)6(7)9/h5-6H,2-4,8-9H2,1H3
InChIKeySNQRGYHRXNXQHO-UHFFFAOYSA-N
XLogP1.03
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.65
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-diaminoheptan-2-ol
CID 23346836
hexadecane-6,7-diamine
CID 57245820
tritriacontane-16,17-diamine
CID 57106039
hexatriacontane-18,19-diamine
CID 57054547
1,1-dichloropentane;gallane
CID 174452216
icosane-5,10,16-triamine
CID 88870264
amino(tributyl)phosphanium chloride
CID 160955506
(3R)-3-amino-1-fluoroheptan-2-ol
CID 122585066
2,4-dimethylnonan-5-amine
CID 123957338
(2R,3R)-2-N-methylheptane-2,3-diamine
CID 88890786
1-chlorodocosan-1-amine
CID 174773966
hexadecane-4,5-diamine
CID 57310882

Frequently Asked Questions

What is the IUPAC name of 1-chlorohexane-1,2-diamine?
The IUPAC name of 1-chlorohexane-1,2-diamine (CID 151875829) is 1-chlorohexane-1,2-diamine.
What is the SMILES notation for 1-chlorohexane-1,2-diamine?
The canonical SMILES for 1-chlorohexane-1,2-diamine is CCCCC(N)C(N)Cl.
What is the InChIKey of 1-chlorohexane-1,2-diamine?
The InChIKey is SNQRGYHRXNXQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15ClN2/c1-2-3-4-5(8)6(7)9/h5-6H,2-4,8-9H2,1H3.
What are the key properties of 1-chlorohexane-1,2-diamine?
1-chlorohexane-1,2-diamine has a molecular weight of 150.65 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorohexane-1,2-diamine is sourced from PubChem (CID 151875829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).