N',N'-dimethyl-1-(4-methylcyclohexyl)propane-1,3-diamine

C12H26N2 — CID 115346071

IUPACN',N'-dimethyl-1-(4-methylcyclohexyl)propane-1,3-diamine
SMILESCC1CCC(C(N)CCN(C)C)CC1
InChIInChI=1S/C12H26N2/c1-10-4-6-11(7-5-10)12(13)8-9-14(2)3/h10-12H,4-9,13H2,1-3H3
InChIKeyGGBKYPHALLMJSG-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.09
Rot. Bonds4

About N',N'-dimethyl-1-(4-methylcyclohexyl)propane-1,3-diamine

N',N'-dimethyl-1-(4-methylcyclohexyl)propane-1,3-diamine (PubChem CID 115346071) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N',N'-dimethyl-1-(4-methylcyclohexyl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-1-(4-methylcyclohexyl)propane-1,3-diamine
PubChem CID115346071
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN',N'-dimethyl-1-(4-methylcyclohexyl)propane-1,3-diamine
SMILESCC1CCC(C(N)CCN(C)C)CC1
InChIInChI=1S/C12H26N2/c1-10-4-6-11(7-5-10)12(13)8-9-14(2)3/h10-12H,4-9,13H2,1-3H3
InChIKeyGGBKYPHALLMJSG-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N'-methoxy-N'-methylpropane-1,3-diamine
CID 114396652
4,4-dimethyl-1-(4-methylcyclohexyl)pentan-1-amine
CID 63415730
(1R)-1-cyclopropylbutan-1-amine;hydrochloride
CID 155046187
1-(4-methylcyclohexyl)-2-methylsulfanylethanamine
CID 64775854
N',N'-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine
CID 113291213
1-(3-methylcyclopentyl)butan-1-amine
CID 65414567
1-(4-methylcyclohexyl)-2-propan-2-yloxyethanamine
CID 79575191
(1S)-3,3,3-trifluoro-1-(4-methylcyclohexyl)propan-1-amine
CID 104941345
4-cyclobutyl-1-N,1-N-dimethylbutane-1,3-diamine
CID 115346236
1-cyclopropyl-N',N'-bis(2-ethoxyethyl)propane-1,3-diamine
CID 82954187
1-cyclopropyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanamine
CID 63913476
N',1-dicyclopropyl-N'-propylethane-1,2-diamine
CID 63912333

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-1-(4-methylcyclohexyl)propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-1-(4-methylcyclohexyl)propane-1,3-diamine (CID 115346071) is N',N'-dimethyl-1-(4-methylcyclohexyl)propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-1-(4-methylcyclohexyl)propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-1-(4-methylcyclohexyl)propane-1,3-diamine is CC1CCC(C(N)CCN(C)C)CC1.
What is the InChIKey of N',N'-dimethyl-1-(4-methylcyclohexyl)propane-1,3-diamine?
The InChIKey is GGBKYPHALLMJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-10-4-6-11(7-5-10)12(13)8-9-14(2)3/h10-12H,4-9,13H2,1-3H3.
What are the key properties of N',N'-dimethyl-1-(4-methylcyclohexyl)propane-1,3-diamine?
N',N'-dimethyl-1-(4-methylcyclohexyl)propane-1,3-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-1-(4-methylcyclohexyl)propane-1,3-diamine is sourced from PubChem (CID 115346071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).