(5-amino-2,4-dimethylcyclohexyl)-(4-propan-2-ylazepan-1-yl)methanone

C18H34N2O — CID 102706777

IUPAC(5-amino-2,4-dimethylcyclohexyl)-(4-propan-2-ylazepan-1-yl)methanone
SMILESCC(C)C1CCCN(C(=O)C2CC(N)C(C)CC2C)CC1
InChIInChI=1S/C18H34N2O/c1-12(2)15-6-5-8-20(9-7-15)18(21)16-11-17(19)14(4)10-13(16)3/h12-17H,5-11,19H2,1-4H3
InChIKeySCRVPTDRMCAGHT-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.28
Rot. Bonds2

About (5-amino-2,4-dimethylcyclohexyl)-(4-propan-2-ylazepan-1-yl)methanone

(5-amino-2,4-dimethylcyclohexyl)-(4-propan-2-ylazepan-1-yl)methanone (PubChem CID 102706777) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is (5-amino-2,4-dimethylcyclohexyl)-(4-propan-2-ylazepan-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-2,4-dimethylcyclohexyl)-(4-propan-2-ylazepan-1-yl)methanone
PubChem CID102706777
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name(5-amino-2,4-dimethylcyclohexyl)-(4-propan-2-ylazepan-1-yl)methanone
SMILESCC(C)C1CCCN(C(=O)C2CC(N)C(C)CC2C)CC1
InChIInChI=1S/C18H34N2O/c1-12(2)15-6-5-8-20(9-7-15)18(21)16-11-17(19)14(4)10-13(16)3/h12-17H,5-11,19H2,1-4H3
InChIKeySCRVPTDRMCAGHT-UHFFFAOYSA-N
XLogP3.28
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-amino-2,4-dimethylcyclohexyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 102706478
(5-amino-2,4-dimethylcyclohexyl)-(2-methylpyrrolidin-1-yl)methanone
CID 102706440
(5-amino-2,4-dimethylcyclohexyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 102706729
(5-amino-2,4-dimethylcyclohexyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 102706693
(5-amino-2,4-dimethylcyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 102706745
(5-amino-2,4-dimethylcyclohexyl)-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 102706941
(5-amino-2,4-dimethylcyclohexyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 102706831
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(5-amino-2,4-dimethylcyclohexyl)methanone
CID 102728751
azetidin-1-yl-(2-methylcyclopropyl)methanone
CID 91990919
propan-2-yl 4-propan-2-ylazepane-1-carboxylate
CID 116656252
[(2S)-oxolan-2-yl]-[(4S)-4-propan-2-ylazepan-1-yl]methanone
CID 95627899
[4-(ethylamino)oxolan-3-yl]-(4-propan-2-ylazepan-1-yl)methanone
CID 66257568

Frequently Asked Questions

What is the IUPAC name of (5-amino-2,4-dimethylcyclohexyl)-(4-propan-2-ylazepan-1-yl)methanone?
The IUPAC name of (5-amino-2,4-dimethylcyclohexyl)-(4-propan-2-ylazepan-1-yl)methanone (CID 102706777) is (5-amino-2,4-dimethylcyclohexyl)-(4-propan-2-ylazepan-1-yl)methanone.
What is the SMILES notation for (5-amino-2,4-dimethylcyclohexyl)-(4-propan-2-ylazepan-1-yl)methanone?
The canonical SMILES for (5-amino-2,4-dimethylcyclohexyl)-(4-propan-2-ylazepan-1-yl)methanone is CC(C)C1CCCN(C(=O)C2CC(N)C(C)CC2C)CC1.
What is the InChIKey of (5-amino-2,4-dimethylcyclohexyl)-(4-propan-2-ylazepan-1-yl)methanone?
The InChIKey is SCRVPTDRMCAGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-12(2)15-6-5-8-20(9-7-15)18(21)16-11-17(19)14(4)10-13(16)3/h12-17H,5-11,19H2,1-4H3.
What are the key properties of (5-amino-2,4-dimethylcyclohexyl)-(4-propan-2-ylazepan-1-yl)methanone?
(5-amino-2,4-dimethylcyclohexyl)-(4-propan-2-ylazepan-1-yl)methanone has a molecular weight of 294.48 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2,4-dimethylcyclohexyl)-(4-propan-2-ylazepan-1-yl)methanone is sourced from PubChem (CID 102706777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).