[4-(4,4-dimethylazepan-1-yl)-2-ethyl-2-methyloxan-4-yl]methanamine

C17H34N2O — CID 65283239

IUPAC[4-(4,4-dimethylazepan-1-yl)-2-ethyl-2-methyloxan-4-yl]methanamine
SMILESCCC1(C)CC(CN)(N2CCCC(C)(C)CC2)CCO1
InChIInChI=1S/C17H34N2O/c1-5-16(4)13-17(14-18,9-12-20-16)19-10-6-7-15(2,3)8-11-19/h5-14,18H2,1-4H3
InChIKeyNRMDYIHSJIDNAK-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.18
Rot. Bonds3

About [4-(4,4-dimethylazepan-1-yl)-2-ethyl-2-methyloxan-4-yl]methanamine

[4-(4,4-dimethylazepan-1-yl)-2-ethyl-2-methyloxan-4-yl]methanamine (PubChem CID 65283239) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is [4-(4,4-dimethylazepan-1-yl)-2-ethyl-2-methyloxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(4,4-dimethylazepan-1-yl)-2-ethyl-2-methyloxan-4-yl]methanamine
PubChem CID65283239
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name[4-(4,4-dimethylazepan-1-yl)-2-ethyl-2-methyloxan-4-yl]methanamine
SMILESCCC1(C)CC(CN)(N2CCCC(C)(C)CC2)CCO1
InChIInChI=1S/C17H34N2O/c1-5-16(4)13-17(14-18,9-12-20-16)19-10-6-7-15(2,3)8-11-19/h5-14,18H2,1-4H3
InChIKeyNRMDYIHSJIDNAK-UHFFFAOYSA-N
XLogP3.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-ethyl-2-methyloxan-4-yl]methanamine
CID 107453908
[4-(4,4-dimethylpiperidin-1-yl)thian-4-yl]methanamine
CID 62938084
N-[4-(aminomethyl)-2-ethyl-2-methyloxan-4-yl]piperidin-1-amine
CID 83010918
[4-(4,4-dimethylazepan-1-yl)-1-propan-2-ylazepan-4-yl]methanamine
CID 65283742
[1-(3,3-dimethylpiperidin-1-yl)cyclopropyl]methanamine
CID 106661250
1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanamine
CID 10654304
8-ethyl-1,2,3,5,6,7-hexahydropyrrolizine;hydrofluoride
CID 168881533
[3-(3,3-dimethylpiperidin-1-yl)-5,5-dimethylthian-3-yl]methanamine
CID 79958923
(4,4-dimethyl-1-thiomorpholin-4-ylcycloheptyl)methanamine
CID 65088212
[4,4-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cycloheptyl]methanamine
CID 65088033
[3-(azetidin-1-yl)oxolan-3-yl]methanamine
CID 84763755
[4-ethyl-1-(4-ethyl-4-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 63465619

Frequently Asked Questions

What is the IUPAC name of [4-(4,4-dimethylazepan-1-yl)-2-ethyl-2-methyloxan-4-yl]methanamine?
The IUPAC name of [4-(4,4-dimethylazepan-1-yl)-2-ethyl-2-methyloxan-4-yl]methanamine (CID 65283239) is [4-(4,4-dimethylazepan-1-yl)-2-ethyl-2-methyloxan-4-yl]methanamine.
What is the SMILES notation for [4-(4,4-dimethylazepan-1-yl)-2-ethyl-2-methyloxan-4-yl]methanamine?
The canonical SMILES for [4-(4,4-dimethylazepan-1-yl)-2-ethyl-2-methyloxan-4-yl]methanamine is CCC1(C)CC(CN)(N2CCCC(C)(C)CC2)CCO1.
What is the InChIKey of [4-(4,4-dimethylazepan-1-yl)-2-ethyl-2-methyloxan-4-yl]methanamine?
The InChIKey is NRMDYIHSJIDNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-5-16(4)13-17(14-18,9-12-20-16)19-10-6-7-15(2,3)8-11-19/h5-14,18H2,1-4H3.
What are the key properties of [4-(4,4-dimethylazepan-1-yl)-2-ethyl-2-methyloxan-4-yl]methanamine?
[4-(4,4-dimethylazepan-1-yl)-2-ethyl-2-methyloxan-4-yl]methanamine has a molecular weight of 282.47 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,4-dimethylazepan-1-yl)-2-ethyl-2-methyloxan-4-yl]methanamine is sourced from PubChem (CID 65283239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).