(1-aminocyclohexyl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone

C14H27N3O — CID 114085692

IUPAC(1-aminocyclohexyl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone
SMILESCC1CN(C)CCCN1C(=O)C1(N)CCCCC1
InChIInChI=1S/C14H27N3O/c1-12-11-16(2)9-6-10-17(12)13(18)14(15)7-4-3-5-8-14/h12H,3-11,15H2,1-2H3
InChIKeyZHODZUJBEMUNQB-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.20
Rot. Bonds1

About (1-aminocyclohexyl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone

(1-aminocyclohexyl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone (PubChem CID 114085692) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is (1-aminocyclohexyl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name(1-aminocyclohexyl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone
PubChem CID114085692
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name(1-aminocyclohexyl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone
SMILESCC1CN(C)CCCN1C(=O)C1(N)CCCCC1
InChIInChI=1S/C14H27N3O/c1-12-11-16(2)9-6-10-17(12)13(18)14(15)7-4-3-5-8-14/h12H,3-11,15H2,1-2H3
InChIKeyZHODZUJBEMUNQB-UHFFFAOYSA-N
XLogP1.20
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-dimethylpiperazine-1-carbonyl)cyclohexyl]methanesulfonamide
CID 167978802
(2,4-dimethylpiperazin-1-yl)-(1-fluorocyclopropyl)methanone;ethane
CID 177202749
(1-aminocyclohexyl)-(3,4-dimethylpyrrolidin-1-yl)methanone;hydrochloride
CID 119328203
3-amino-1-(2,4-dimethyl-1,4-diazepan-1-yl)hexan-1-one
CID 114085729
(1-aminocyclopentyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 62059351
(2,4-dimethylpiperazin-1-yl)-(1-methoxycyclopropyl)methanone
CID 177202718
1-(2,4-dimethyl-1,4-diazepan-1-yl)-2-(ethylamino)-2-methylpropan-1-one
CID 114085707
cis-(1S,2R)-2-(2,4-dimethyl-1,4-diazepane-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114093363
1-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
CID 63273710
(1-aminocyclohexyl)-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)methanone
CID 119302371
(4-amino-1-bicyclo[2.2.2]octanyl)-(2-methylpiperidin-1-yl)methanone
CID 178203118
(1-aminocyclopentyl)-(azepan-1-yl)methanone
CID 60867017

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclohexyl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of (1-aminocyclohexyl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone (CID 114085692) is (1-aminocyclohexyl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for (1-aminocyclohexyl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for (1-aminocyclohexyl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone is CC1CN(C)CCCN1C(=O)C1(N)CCCCC1.
What is the InChIKey of (1-aminocyclohexyl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone?
The InChIKey is ZHODZUJBEMUNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-12-11-16(2)9-6-10-17(12)13(18)14(15)7-4-3-5-8-14/h12H,3-11,15H2,1-2H3.
What are the key properties of (1-aminocyclohexyl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone?
(1-aminocyclohexyl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone has a molecular weight of 253.39 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclohexyl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 114085692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).