1-N,2-N-dimethyl-2-N-(1-methylpiperidin-3-yl)cyclohexane-1,2-diamine

C14H29N3 — CID 62547117

IUPAC1-N,2-N-dimethyl-2-N-(1-methylpiperidin-3-yl)cyclohexane-1,2-diamine
SMILESCNC1CCCCC1N(C)C1CCCN(C)C1
InChIInChI=1S/C14H29N3/c1-15-13-8-4-5-9-14(13)17(3)12-7-6-10-16(2)11-12/h12-15H,4-11H2,1-3H3
InChIKeyLLYRLZNXPCLHBQ-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.54
Rot. Bonds3

About 1-N,2-N-dimethyl-2-N-(1-methylpiperidin-3-yl)cyclohexane-1,2-diamine

1-N,2-N-dimethyl-2-N-(1-methylpiperidin-3-yl)cyclohexane-1,2-diamine (PubChem CID 62547117) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1-N,2-N-dimethyl-2-N-(1-methylpiperidin-3-yl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-dimethyl-2-N-(1-methylpiperidin-3-yl)cyclohexane-1,2-diamine
PubChem CID62547117
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1-N,2-N-dimethyl-2-N-(1-methylpiperidin-3-yl)cyclohexane-1,2-diamine
SMILESCNC1CCCCC1N(C)C1CCCN(C)C1
InChIInChI=1S/C14H29N3/c1-15-13-8-4-5-9-14(13)17(3)12-7-6-10-16(2)11-12/h12-15H,4-11H2,1-3H3
InChIKeyLLYRLZNXPCLHBQ-UHFFFAOYSA-N
XLogP1.54
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-2-N-cyclopropyl-1-N,2-N-dimethylcyclohexane-1,2-diamine
CID 97170112
1-N,2-N-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclooctane-1,2-diamine
CID 63275645
2-N-(4-ethylcyclohexyl)-1-N,2-N-dimethylcyclooctane-1,2-diamine
CID 63469418
4-[methyl-(1-methylpiperidin-3-yl)amino]pyrrolidin-3-ol
CID 63704738
N-(azetidin-3-yl)-N,1-dimethylpiperidin-3-amine
CID 62785558
N-[2-[(cyclopropylamino)methyl]cyclobutyl]-N,1-dimethylpiperidin-3-amine
CID 80998463
1-N-(cyclobutylmethyl)-1-N,2-N-dimethylcycloheptane-1,2-diamine
CID 62862349
N,1-dimethyl-N-[[4-(methylamino)cyclohexyl]methyl]piperidin-3-amine
CID 115213642
4-tert-butyl-2-N-methyl-2-N-(1-methylpiperidin-3-yl)cyclohexane-1,2-diamine
CID 62546939
2-N-methyl-2-N-(1-methylpiperidin-3-yl)-4-propan-2-ylcyclohexane-1,2-diamine
CID 62708595
1-cyclopentyl-N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 104745946
1-amino-4-[methyl-(1-methylpiperidin-3-yl)amino]cyclohexane-1-carbonitrile
CID 117039527

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-dimethyl-2-N-(1-methylpiperidin-3-yl)cyclohexane-1,2-diamine?
The IUPAC name of 1-N,2-N-dimethyl-2-N-(1-methylpiperidin-3-yl)cyclohexane-1,2-diamine (CID 62547117) is 1-N,2-N-dimethyl-2-N-(1-methylpiperidin-3-yl)cyclohexane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-dimethyl-2-N-(1-methylpiperidin-3-yl)cyclohexane-1,2-diamine?
The canonical SMILES for 1-N,2-N-dimethyl-2-N-(1-methylpiperidin-3-yl)cyclohexane-1,2-diamine is CNC1CCCCC1N(C)C1CCCN(C)C1.
What is the InChIKey of 1-N,2-N-dimethyl-2-N-(1-methylpiperidin-3-yl)cyclohexane-1,2-diamine?
The InChIKey is LLYRLZNXPCLHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-15-13-8-4-5-9-14(13)17(3)12-7-6-10-16(2)11-12/h12-15H,4-11H2,1-3H3.
What are the key properties of 1-N,2-N-dimethyl-2-N-(1-methylpiperidin-3-yl)cyclohexane-1,2-diamine?
1-N,2-N-dimethyl-2-N-(1-methylpiperidin-3-yl)cyclohexane-1,2-diamine has a molecular weight of 239.41 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-dimethyl-2-N-(1-methylpiperidin-3-yl)cyclohexane-1,2-diamine is sourced from PubChem (CID 62547117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).