4-[1-(aminomethyl)-4-ethylcyclohexyl]-1-ethylazepan-4-ol

C17H34N2O — CID 79123962

IUPAC4-[1-(aminomethyl)-4-ethylcyclohexyl]-1-ethylazepan-4-ol
SMILESCCC1CCC(CN)(C2(O)CCCN(CC)CC2)CC1
InChIInChI=1S/C17H34N2O/c1-3-15-6-9-16(14-18,10-7-15)17(20)8-5-12-19(4-2)13-11-17/h15,20H,3-14,18H2,1-2H3
InChIKeyBLDBSXPZSMXUKC-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.77
Rot. Bonds4

About 4-[1-(aminomethyl)-4-ethylcyclohexyl]-1-ethylazepan-4-ol

4-[1-(aminomethyl)-4-ethylcyclohexyl]-1-ethylazepan-4-ol (PubChem CID 79123962) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 4-[1-(aminomethyl)-4-ethylcyclohexyl]-1-ethylazepan-4-ol.

Molecular Properties

Compound Name4-[1-(aminomethyl)-4-ethylcyclohexyl]-1-ethylazepan-4-ol
PubChem CID79123962
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name4-[1-(aminomethyl)-4-ethylcyclohexyl]-1-ethylazepan-4-ol
SMILESCCC1CCC(CN)(C2(O)CCCN(CC)CC2)CC1
InChIInChI=1S/C17H34N2O/c1-3-15-6-9-16(14-18,10-7-15)17(20)8-5-12-19(4-2)13-11-17/h15,20H,3-14,18H2,1-2H3
InChIKeyBLDBSXPZSMXUKC-UHFFFAOYSA-N
XLogP2.77
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(aminomethyl)cycloheptyl]-1-ethylazepan-4-ol
CID 79125587
4-[1-(aminomethyl)-4-methylcyclohexyl]-1-ethylpiperidin-4-ol
CID 79135740
4-[1-(aminomethyl)-4-methylcyclohexyl]-1-propylazepan-4-ol
CID 79125588
1-[1-(aminomethyl)cycloheptyl]-4-ethylcycloheptan-1-ol
CID 79124222
4-[1-(aminomethyl)-3-methylcyclopentyl]-1-propylazepan-4-ol
CID 79124838
3-[1-(aminomethyl)-4-ethylcyclohexyl]-1-cyclopropylpyrrolidin-3-ol
CID 79134939
8-[1-(aminomethyl)-4-ethylcyclohexyl]-1,4-dioxaspiro[4.5]decan-8-ol
CID 79123696
4-[4-(aminomethyl)oxan-4-yl]-1-propylazepan-4-ol
CID 79125941
4-[3-(aminomethyl)oxan-3-yl]-1-ethylpiperidin-4-ol
CID 103715931
1-[1-(aminomethyl)-4-ethylcyclohexyl]-2,2-dimethylcyclohexan-1-ol
CID 79852793
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3-ethylcyclohexan-1-ol
CID 79124179
1-ethyl-4-(4-ethylcyclohexyl)piperidin-4-ol
CID 64749154

Frequently Asked Questions

What is the IUPAC name of 4-[1-(aminomethyl)-4-ethylcyclohexyl]-1-ethylazepan-4-ol?
The IUPAC name of 4-[1-(aminomethyl)-4-ethylcyclohexyl]-1-ethylazepan-4-ol (CID 79123962) is 4-[1-(aminomethyl)-4-ethylcyclohexyl]-1-ethylazepan-4-ol.
What is the SMILES notation for 4-[1-(aminomethyl)-4-ethylcyclohexyl]-1-ethylazepan-4-ol?
The canonical SMILES for 4-[1-(aminomethyl)-4-ethylcyclohexyl]-1-ethylazepan-4-ol is CCC1CCC(CN)(C2(O)CCCN(CC)CC2)CC1.
What is the InChIKey of 4-[1-(aminomethyl)-4-ethylcyclohexyl]-1-ethylazepan-4-ol?
The InChIKey is BLDBSXPZSMXUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-3-15-6-9-16(14-18,10-7-15)17(20)8-5-12-19(4-2)13-11-17/h15,20H,3-14,18H2,1-2H3.
What are the key properties of 4-[1-(aminomethyl)-4-ethylcyclohexyl]-1-ethylazepan-4-ol?
4-[1-(aminomethyl)-4-ethylcyclohexyl]-1-ethylazepan-4-ol has a molecular weight of 282.47 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(aminomethyl)-4-ethylcyclohexyl]-1-ethylazepan-4-ol is sourced from PubChem (CID 79123962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).