1-N'-cyclohexylpropane-1,1-diamine;hydrochloride

C9H21ClN2 — CID 21332734

IUPAC1-N'-cyclohexylpropane-1,1-diamine;hydrochloride
SMILESCCC(N)NC1CCCCC1.Cl
InChIInChI=1S/C9H20N2.ClH/c1-2-9(10)11-8-6-4-3-5-7-8;/h8-9,11H,2-7,10H2,1H3;1H
InChIKeyFDEUPVRGZZDQNA-UHFFFAOYSA-N
MW192.73 g/mol
LogP2.03
Rot. Bonds3

About 1-N'-cyclohexylpropane-1,1-diamine;hydrochloride

1-N'-cyclohexylpropane-1,1-diamine;hydrochloride (PubChem CID 21332734) has the molecular formula C9H21ClN2 and a molecular weight of 192.73 g/mol. Its IUPAC name is 1-N'-cyclohexylpropane-1,1-diamine;hydrochloride.

Molecular Properties

Compound Name1-N'-cyclohexylpropane-1,1-diamine;hydrochloride
PubChem CID21332734
Molecular FormulaC9H21ClN2
Molecular Weight192.73 g/mol
Exact Mass192.14
IUPAC Name1-N'-cyclohexylpropane-1,1-diamine;hydrochloride
SMILESCCC(N)NC1CCCCC1.Cl
InChIInChI=1S/C9H20N2.ClH/c1-2-9(10)11-8-6-4-3-5-7-8;/h8-9,11H,2-7,10H2,1H3;1H
InChIKeyFDEUPVRGZZDQNA-UHFFFAOYSA-N
XLogP2.03
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.73
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N'-cyclohexylpropane-1,1-diamine;hydrochloride?
The IUPAC name of 1-N'-cyclohexylpropane-1,1-diamine;hydrochloride (CID 21332734) is 1-N'-cyclohexylpropane-1,1-diamine;hydrochloride.
What is the SMILES notation for 1-N'-cyclohexylpropane-1,1-diamine;hydrochloride?
The canonical SMILES for 1-N'-cyclohexylpropane-1,1-diamine;hydrochloride is CCC(N)NC1CCCCC1.Cl.
What is the InChIKey of 1-N'-cyclohexylpropane-1,1-diamine;hydrochloride?
The InChIKey is FDEUPVRGZZDQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.ClH/c1-2-9(10)11-8-6-4-3-5-7-8;/h8-9,11H,2-7,10H2,1H3;1H.
What are the key properties of 1-N'-cyclohexylpropane-1,1-diamine;hydrochloride?
1-N'-cyclohexylpropane-1,1-diamine;hydrochloride has a molecular weight of 192.73 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-cyclohexylpropane-1,1-diamine;hydrochloride is sourced from PubChem (CID 21332734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).