4-methyl-1-[[2-(propylamino)cyclohexyl]methyl]azepan-4-ol

C17H34N2O — CID 107408771

IUPAC4-methyl-1-[[2-(propylamino)cyclohexyl]methyl]azepan-4-ol
SMILESCCCNC1CCCCC1CN1CCCC(C)(O)CC1
InChIInChI=1S/C17H34N2O/c1-3-11-18-16-8-5-4-7-15(16)14-19-12-6-9-17(2,20)10-13-19/h15-16,18,20H,3-14H2,1-2H3
InChIKeyINVKOTFZNIWXNJ-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.78
Rot. Bonds5

About 4-methyl-1-[[2-(propylamino)cyclohexyl]methyl]azepan-4-ol

4-methyl-1-[[2-(propylamino)cyclohexyl]methyl]azepan-4-ol (PubChem CID 107408771) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 4-methyl-1-[[2-(propylamino)cyclohexyl]methyl]azepan-4-ol.

Molecular Properties

Compound Name4-methyl-1-[[2-(propylamino)cyclohexyl]methyl]azepan-4-ol
PubChem CID107408771
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name4-methyl-1-[[2-(propylamino)cyclohexyl]methyl]azepan-4-ol
SMILESCCCNC1CCCCC1CN1CCCC(C)(O)CC1
InChIInChI=1S/C17H34N2O/c1-3-11-18-16-8-5-4-7-15(16)14-19-12-6-9-17(2,20)10-13-19/h15-16,18,20H,3-14H2,1-2H3
InChIKeyINVKOTFZNIWXNJ-UHFFFAOYSA-N
XLogP2.78
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methyl-1-[[2-(propylamino)cyclohexyl]methyl]azepan-4-ol with MolForge

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Related Compounds

4-methyl-1-[[4-(propylamino)oxan-3-yl]methyl]azepan-4-ol
CID 107408715
4-methyl-1-[[5-methyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol
CID 81116004
2-[(4-cyclopropylpiperazin-1-yl)methyl]-N-propylcyclohexan-1-amine
CID 62614441
2-[(4,4-dimethylpiperidin-1-yl)methyl]-N-ethylcycloheptan-1-amine
CID 62931664
2-(1,4-oxazepan-4-ylmethyl)-N-propylcycloheptan-1-amine
CID 55139983
N-propyl-2-[(4-propylpiperazin-1-yl)methyl]cyclopentan-1-amine
CID 55094030
2-[(4,4-dimethylpiperidin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 63495442
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propylcyclohexan-1-amine
CID 62616535
2-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylcyclohexan-1-amine
CID 62616357
2-[(2,2-dimethylmorpholin-4-yl)methyl]-N-propylcyclohexan-1-amine
CID 62614593
2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-N-propylcycloheptan-1-amine
CID 62973181
2-[1-[[2-(propylamino)cyclohexyl]methyl]piperidin-3-yl]ethanol
CID 107228969

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[2-(propylamino)cyclohexyl]methyl]azepan-4-ol?
The IUPAC name of 4-methyl-1-[[2-(propylamino)cyclohexyl]methyl]azepan-4-ol (CID 107408771) is 4-methyl-1-[[2-(propylamino)cyclohexyl]methyl]azepan-4-ol.
What is the SMILES notation for 4-methyl-1-[[2-(propylamino)cyclohexyl]methyl]azepan-4-ol?
The canonical SMILES for 4-methyl-1-[[2-(propylamino)cyclohexyl]methyl]azepan-4-ol is CCCNC1CCCCC1CN1CCCC(C)(O)CC1.
What is the InChIKey of 4-methyl-1-[[2-(propylamino)cyclohexyl]methyl]azepan-4-ol?
The InChIKey is INVKOTFZNIWXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-3-11-18-16-8-5-4-7-15(16)14-19-12-6-9-17(2,20)10-13-19/h15-16,18,20H,3-14H2,1-2H3.
What are the key properties of 4-methyl-1-[[2-(propylamino)cyclohexyl]methyl]azepan-4-ol?
4-methyl-1-[[2-(propylamino)cyclohexyl]methyl]azepan-4-ol has a molecular weight of 282.47 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[2-(propylamino)cyclohexyl]methyl]azepan-4-ol is sourced from PubChem (CID 107408771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).