2-N-methyl-2-N-[2-(3-methylcyclohexyl)ethyl]propane-1,2-diamine;hydrochloride

C13H29ClN2 — CID 119924723

IUPAC2-N-methyl-2-N-[2-(3-methylcyclohexyl)ethyl]propane-1,2-diamine;hydrochloride
SMILESCC1CCCC(CCN(C)C(C)CN)C1.Cl
InChIInChI=1S/C13H28N2.ClH/c1-11-5-4-6-13(9-11)7-8-15(3)12(2)10-14;/h11-13H,4-10,14H2,1-3H3;1H
InChIKeyUUMSWVZZGKMPHJ-UHFFFAOYSA-N
MW248.84 g/mol
LogP2.90
Rot. Bonds5

About 2-N-methyl-2-N-[2-(3-methylcyclohexyl)ethyl]propane-1,2-diamine;hydrochloride

2-N-methyl-2-N-[2-(3-methylcyclohexyl)ethyl]propane-1,2-diamine;hydrochloride (PubChem CID 119924723) has the molecular formula C13H29ClN2 and a molecular weight of 248.84 g/mol. Its IUPAC name is 2-N-methyl-2-N-[2-(3-methylcyclohexyl)ethyl]propane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-methyl-2-N-[2-(3-methylcyclohexyl)ethyl]propane-1,2-diamine;hydrochloride
PubChem CID119924723
Molecular FormulaC13H29ClN2
Molecular Weight248.84 g/mol
Exact Mass248.20
IUPAC Name2-N-methyl-2-N-[2-(3-methylcyclohexyl)ethyl]propane-1,2-diamine;hydrochloride
SMILESCC1CCCC(CCN(C)C(C)CN)C1.Cl
InChIInChI=1S/C13H28N2.ClH/c1-11-5-4-6-13(9-11)7-8-15(3)12(2)10-14;/h11-13H,4-10,14H2,1-3H3;1H
InChIKeyUUMSWVZZGKMPHJ-UHFFFAOYSA-N
XLogP2.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.84
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(2-cyclopentylethyl)-3-N-methylbutane-1,3-diamine
CID 117040502
cis-(1R,3S)-1-methyl-3-propylcyclohexane
CID 154071124
3-N-(2-cyclohexylethyl)-3-N-methylbutane-1,3-diamine
CID 117040503
N-(2-cyclobutylethyl)-N-methylpropan-2-amine
CID 117044257
3-[2-cyclobutylethyl(methyl)amino]butanoic acid
CID 117042297
(3-methylcyclohexyl)methanamine
CID 18361468
(1S)-1-methyl-3-(2-methylpropyl)cyclohexane
CID 140722932
trans-(1S,3S)-1-ethyl-3-methylcyclohexane
CID 23620235
2-[cyclopropyl-[2-(3-methylcyclohexyl)ethyl]amino]propanoic acid
CID 122100553
1-methyl-3-octylcyclohexane
CID 54298070
1-methyl-3-octadecylcyclohexane
CID 175465709
2-[1-aminopropan-2-yl(methyl)amino]-N-(cyclobutylmethyl)acetamide;hydrochloride
CID 119924825

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-[2-(3-methylcyclohexyl)ethyl]propane-1,2-diamine;hydrochloride?
The IUPAC name of 2-N-methyl-2-N-[2-(3-methylcyclohexyl)ethyl]propane-1,2-diamine;hydrochloride (CID 119924723) is 2-N-methyl-2-N-[2-(3-methylcyclohexyl)ethyl]propane-1,2-diamine;hydrochloride.
What is the SMILES notation for 2-N-methyl-2-N-[2-(3-methylcyclohexyl)ethyl]propane-1,2-diamine;hydrochloride?
The canonical SMILES for 2-N-methyl-2-N-[2-(3-methylcyclohexyl)ethyl]propane-1,2-diamine;hydrochloride is CC1CCCC(CCN(C)C(C)CN)C1.Cl.
What is the InChIKey of 2-N-methyl-2-N-[2-(3-methylcyclohexyl)ethyl]propane-1,2-diamine;hydrochloride?
The InChIKey is UUMSWVZZGKMPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2.ClH/c1-11-5-4-6-13(9-11)7-8-15(3)12(2)10-14;/h11-13H,4-10,14H2,1-3H3;1H.
What are the key properties of 2-N-methyl-2-N-[2-(3-methylcyclohexyl)ethyl]propane-1,2-diamine;hydrochloride?
2-N-methyl-2-N-[2-(3-methylcyclohexyl)ethyl]propane-1,2-diamine;hydrochloride has a molecular weight of 248.84 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-[2-(3-methylcyclohexyl)ethyl]propane-1,2-diamine;hydrochloride is sourced from PubChem (CID 119924723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).