ethane;3-ethyl-6-methyl-N-propyl-1,3-oxazepan-5-amine

C13H30N2O — CID 168995705

IUPACethane;3-ethyl-6-methyl-N-propyl-1,3-oxazepan-5-amine
SMILESCC.CCCNC1CN(CC)COCC1C
InChIInChI=1S/C11H24N2O.C2H6/c1-4-6-12-11-7-13(5-2)9-14-8-10(11)3;1-2/h10-12H,4-9H2,1-3H3;1-2H3
InChIKeyFESKCVCMTIWXLV-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.33
Rot. Bonds4

About ethane;3-ethyl-6-methyl-N-propyl-1,3-oxazepan-5-amine

ethane;3-ethyl-6-methyl-N-propyl-1,3-oxazepan-5-amine (PubChem CID 168995705) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is ethane;3-ethyl-6-methyl-N-propyl-1,3-oxazepan-5-amine.

Molecular Properties

Compound Nameethane;3-ethyl-6-methyl-N-propyl-1,3-oxazepan-5-amine
PubChem CID168995705
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Nameethane;3-ethyl-6-methyl-N-propyl-1,3-oxazepan-5-amine
SMILESCC.CCCNC1CN(CC)COCC1C
InChIInChI=1S/C11H24N2O.C2H6/c1-4-6-12-11-7-13(5-2)9-14-8-10(11)3;1-2/h10-12H,4-9H2,1-3H3;1-2H3
InChIKeyFESKCVCMTIWXLV-UHFFFAOYSA-N
XLogP2.33
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;3-ethyl-6-methyl-N-propyl-1,3-oxazepan-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-Methoxyethyl)-1-methyl-1,4-diazepane
CID 23090165
6-(2-Methoxyethyl)-1-methyl-1,4-diazepane
CID 23090241
6-(2-Methoxyethyl)-1,4-diazepane
CID 23090356
2-(2-Methoxyethyl)-1,4-diazepane
CID 23090487
2-(2-Methoxyethyl)-1-methyl-1,4-diazepane
CID 23090557
4-methoxy-1-N,2-N-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 156812054
6-(Methoxymethyl)-2-methyl-1,4-diazepane
CID 171505824
N-(oxolan-3-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43191181
2-N,2-N,3-trimethyl-1-N-(oxolan-3-ylmethyl)butane-1,2-diamine
CID 43205527
2-N,2-N-dimethyl-1-N-(oxolan-3-ylmethyl)propane-1,2-diamine
CID 61044037
3-[4-(Oxolan-3-ylmethyl)-1,4-diazepan-1-yl]pentan-1-amine
CID 61311300
2-N-(3-methoxypropyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61477124

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-6-methyl-N-propyl-1,3-oxazepan-5-amine?
The IUPAC name of ethane;3-ethyl-6-methyl-N-propyl-1,3-oxazepan-5-amine (CID 168995705) is ethane;3-ethyl-6-methyl-N-propyl-1,3-oxazepan-5-amine.
What is the SMILES notation for ethane;3-ethyl-6-methyl-N-propyl-1,3-oxazepan-5-amine?
The canonical SMILES for ethane;3-ethyl-6-methyl-N-propyl-1,3-oxazepan-5-amine is CC.CCCNC1CN(CC)COCC1C.
What is the InChIKey of ethane;3-ethyl-6-methyl-N-propyl-1,3-oxazepan-5-amine?
The InChIKey is FESKCVCMTIWXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O.C2H6/c1-4-6-12-11-7-13(5-2)9-14-8-10(11)3;1-2/h10-12H,4-9H2,1-3H3;1-2H3.
What are the key properties of ethane;3-ethyl-6-methyl-N-propyl-1,3-oxazepan-5-amine?
ethane;3-ethyl-6-methyl-N-propyl-1,3-oxazepan-5-amine has a molecular weight of 230.40 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-6-methyl-N-propyl-1,3-oxazepan-5-amine is sourced from PubChem (CID 168995705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).