1-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-amine

C13H27N3 — CID 28745435

IUPAC1-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-amine
SMILESCN1CCCN(CC2(N)CCCCC2)CC1
InChIInChI=1S/C13H27N3/c1-15-8-5-9-16(11-10-15)12-13(14)6-3-2-4-7-13/h2-12,14H2,1H3
InChIKeyPJJVVESCTBSWDG-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.29
Rot. Bonds2

About 1-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-amine

1-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-amine (PubChem CID 28745435) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-amine
PubChem CID28745435
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-amine
SMILESCN1CCCN(CC2(N)CCCCC2)CC1
InChIInChI=1S/C13H27N3/c1-15-8-5-9-16(11-10-15)12-13(14)6-3-2-4-7-13/h2-12,14H2,1H3
InChIKeyPJJVVESCTBSWDG-UHFFFAOYSA-N
XLogP1.29
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexyl]methanol
CID 62270732
1-[(1-fluorocyclopropyl)methyl]-4-methyl-1,4-diazepane
CID 131201174
1-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine
CID 63625982
1-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine
CID 79854675
1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-amine
CID 62968799
1-methyl-4-[(2-methylpiperidin-2-yl)methyl]-1,4-diazepane
CID 104594729
1-(1,2,5-dithiazepan-5-ylmethyl)cyclopentan-1-amine
CID 130684129
3-(azetidin-1-ylmethyl)-1-methylpyrrolidin-3-ol
CID 84731876
2-(1-aminocyclohexyl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 64685550
1-methyl-4-[(3-methylpiperidin-3-yl)methyl]-1,4-diazepane
CID 63133054
1-[(4-tert-butylpiperazin-1-yl)methyl]cyclobutan-1-amine
CID 81170801
1-methyl-4-(pyrrolidin-1-ylmethyl)-1,4-diazepane
CID 18541096

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 1-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-amine (CID 28745435) is 1-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-amine is CN1CCCN(CC2(N)CCCCC2)CC1.
What is the InChIKey of 1-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-amine?
The InChIKey is PJJVVESCTBSWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-15-8-5-9-16(11-10-15)12-13(14)6-3-2-4-7-13/h2-12,14H2,1H3.
What are the key properties of 1-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-amine?
1-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 28745435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).