[3-methyl-1-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]methanamine

C14H29N3 — CID 43209340

IUPAC[3-methyl-1-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]methanamine
SMILESCC1CCCC(CN)(N2CCCN(C)CC2)C1
InChIInChI=1S/C14H29N3/c1-13-5-3-6-14(11-13,12-15)17-8-4-7-16(2)9-10-17/h13H,3-12,15H2,1-2H3
InChIKeyJZHFXBGRKQLENN-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.53
Rot. Bonds2

About [3-methyl-1-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]methanamine

[3-methyl-1-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]methanamine (PubChem CID 43209340) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is [3-methyl-1-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]methanamine
PubChem CID43209340
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name[3-methyl-1-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]methanamine
SMILESCC1CCCC(CN)(N2CCCN(C)CC2)C1
InChIInChI=1S/C14H29N3/c1-13-5-3-6-14(11-13,12-15)17-8-4-7-16(2)9-10-17/h13H,3-12,15H2,1-2H3
InChIKeyJZHFXBGRKQLENN-UHFFFAOYSA-N
XLogP1.53
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methyl-1-pyrrolidin-1-ylcyclohexyl)methanamine
CID 24695310
[1-(4-methyl-1,4-diazepan-1-yl)-4-propan-2-ylcycloheptyl]methanamine
CID 65091393
[1-(azocan-1-yl)-3-methylcyclopentyl]methanamine
CID 64501768
2-[3-methyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid
CID 65421643
[1-methyl-4-(4-methylpiperazin-1-yl)azepan-4-yl]methanamine
CID 65075564
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-methylcyclohexyl]methanamine
CID 79941371
[4-(4-methyl-1,4-diazepan-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine
CID 28745310
(2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine
CID 159003358
1-[1-(aminomethyl)-3-methylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166157
[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-methylcyclohexyl]methanamine
CID 43185272
[1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylcyclohexyl]methanamine
CID 55148830
[4-(4-methyl-1,4-diazepan-1-yl)oxan-4-yl]methanamine
CID 43608698

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]methanamine?
The IUPAC name of [3-methyl-1-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]methanamine (CID 43209340) is [3-methyl-1-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]methanamine.
What is the SMILES notation for [3-methyl-1-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]methanamine?
The canonical SMILES for [3-methyl-1-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]methanamine is CC1CCCC(CN)(N2CCCN(C)CC2)C1.
What is the InChIKey of [3-methyl-1-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]methanamine?
The InChIKey is JZHFXBGRKQLENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-13-5-3-6-14(11-13,12-15)17-8-4-7-16(2)9-10-17/h13H,3-12,15H2,1-2H3.
What are the key properties of [3-methyl-1-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]methanamine?
[3-methyl-1-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]methanamine has a molecular weight of 239.41 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]methanamine is sourced from PubChem (CID 43209340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).