1-N,2-dimethylcyclohexane-1,4-diamine;hydrochloride

C8H19ClN2 — CID 175155289

IUPAC1-N,2-dimethylcyclohexane-1,4-diamine;hydrochloride
SMILESCNC1CCC(N)CC1C.Cl
InChIInChI=1S/C8H18N2.ClH/c1-6-5-7(9)3-4-8(6)10-2;/h6-8,10H,3-5,9H2,1-2H3;1H
InChIKeyRRSOPUARPWYFST-UHFFFAOYSA-N
MW178.71 g/mol
LogP1.14
Rot. Bonds1

About 1-N,2-dimethylcyclohexane-1,4-diamine;hydrochloride

1-N,2-dimethylcyclohexane-1,4-diamine;hydrochloride (PubChem CID 175155289) has the molecular formula C8H19ClN2 and a molecular weight of 178.71 g/mol. Its IUPAC name is 1-N,2-dimethylcyclohexane-1,4-diamine;hydrochloride.

Molecular Properties

Compound Name1-N,2-dimethylcyclohexane-1,4-diamine;hydrochloride
PubChem CID175155289
Molecular FormulaC8H19ClN2
Molecular Weight178.71 g/mol
Exact Mass178.12
IUPAC Name1-N,2-dimethylcyclohexane-1,4-diamine;hydrochloride
SMILESCNC1CCC(N)CC1C.Cl
InChIInChI=1S/C8H18N2.ClH/c1-6-5-7(9)3-4-8(6)10-2;/h6-8,10H,3-5,9H2,1-2H3;1H
InChIKeyRRSOPUARPWYFST-UHFFFAOYSA-N
XLogP1.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.71
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-N,2-dimethylcyclohexan-1-amine
CID 146284377
4-ethyl-3-N-methylcyclohexane-1,3-diamine
CID 168995405
tert-butyl N-[(1S,2S,4S)-4-amino-2-methylcyclohexyl]carbamate
CID 86650624
(1R)-N,2-dimethylcyclopropan-1-amine
CID 54266879
(1S,2R,4S)-4-amino-2-methylcyclohexan-1-ol
CID 124537900
(1R)-3-methylcyclopentan-1-amine
CID 58346799
(1S,2R,4R)-4-amino-2-methylcyclohexane-1-carboxylic acid
CID 162343513
(1R,3R,4R)-3-methyl-4-propan-2-ylcyclohexan-1-amine
CID 153443781
N,2-dimethylcyclopentan-1-amine;ethane
CID 144598118
3-methyl-4-prop-1-en-2-ylcyclohexan-1-amine
CID 70333286
(3R,4R)-N,4-dimethylpiperidin-3-amine;dihydrochloride
CID 67295221
cyclopropanamine;N-methylmethanamine
CID 69172103

Frequently Asked Questions

What is the IUPAC name of 1-N,2-dimethylcyclohexane-1,4-diamine;hydrochloride?
The IUPAC name of 1-N,2-dimethylcyclohexane-1,4-diamine;hydrochloride (CID 175155289) is 1-N,2-dimethylcyclohexane-1,4-diamine;hydrochloride.
What is the SMILES notation for 1-N,2-dimethylcyclohexane-1,4-diamine;hydrochloride?
The canonical SMILES for 1-N,2-dimethylcyclohexane-1,4-diamine;hydrochloride is CNC1CCC(N)CC1C.Cl.
What is the InChIKey of 1-N,2-dimethylcyclohexane-1,4-diamine;hydrochloride?
The InChIKey is RRSOPUARPWYFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.ClH/c1-6-5-7(9)3-4-8(6)10-2;/h6-8,10H,3-5,9H2,1-2H3;1H.
What are the key properties of 1-N,2-dimethylcyclohexane-1,4-diamine;hydrochloride?
1-N,2-dimethylcyclohexane-1,4-diamine;hydrochloride has a molecular weight of 178.71 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-dimethylcyclohexane-1,4-diamine;hydrochloride is sourced from PubChem (CID 175155289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).