1-(2-ethylazepan-1-yl)-4-methoxy-4-methylpentan-3-amine

C15H32N2O — CID 114229188

IUPAC1-(2-ethylazepan-1-yl)-4-methoxy-4-methylpentan-3-amine
SMILESCCC1CCCCCN1CCC(N)C(C)(C)OC
InChIInChI=1S/C15H32N2O/c1-5-13-9-7-6-8-11-17(13)12-10-14(16)15(2,3)18-4/h13-14H,5-12,16H2,1-4H3
InChIKeySPWFCWBXCOQUKL-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.78
Rot. Bonds6

About 1-(2-ethylazepan-1-yl)-4-methoxy-4-methylpentan-3-amine

1-(2-ethylazepan-1-yl)-4-methoxy-4-methylpentan-3-amine (PubChem CID 114229188) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-(2-ethylazepan-1-yl)-4-methoxy-4-methylpentan-3-amine.

Molecular Properties

Compound Name1-(2-ethylazepan-1-yl)-4-methoxy-4-methylpentan-3-amine
PubChem CID114229188
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name1-(2-ethylazepan-1-yl)-4-methoxy-4-methylpentan-3-amine
SMILESCCC1CCCCCN1CCC(N)C(C)(C)OC
InChIInChI=1S/C15H32N2O/c1-5-13-9-7-6-8-11-17(13)12-10-14(16)15(2,3)18-4/h13-14H,5-12,16H2,1-4H3
InChIKeySPWFCWBXCOQUKL-UHFFFAOYSA-N
XLogP2.78
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-amino-4-methoxy-4-methylpentyl)piperidin-2-yl]methanol
CID 114229114
1-(2-ethylpiperidin-1-yl)-4-methoxy-N,4-dimethylpentan-3-amine
CID 114229053
ethyl 2-amino-4-(2-ethylpiperidin-1-yl)butanoate
CID 63027661
methyl 4-(2-ethylpiperidin-1-yl)-2-(propan-2-ylamino)butanoate
CID 55145067
2-amino-4-(2-ethylpiperidin-1-yl)butanoic acid
CID 63028622
6-(2-ethylpiperidin-1-yl)hexan-3-amine
CID 106799316
1-(2-ethylazepan-1-yl)-4,4-dimethyl-N-propylpentan-3-amine
CID 104692007
3-(2-ethylazepan-1-yl)-1-phenylpropan-1-amine
CID 104690312
4-(2-ethylpyrrolidin-1-yl)-2-methoxybutan-1-amine
CID 103152222
3-(2-ethylazepan-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 104692034
2-[2-(2-ethylazepan-1-yl)ethyl]-4-methylpentan-1-amine
CID 113441769
3-(2-ethylazepan-1-yl)propan-1-amine
CID 112545599

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylazepan-1-yl)-4-methoxy-4-methylpentan-3-amine?
The IUPAC name of 1-(2-ethylazepan-1-yl)-4-methoxy-4-methylpentan-3-amine (CID 114229188) is 1-(2-ethylazepan-1-yl)-4-methoxy-4-methylpentan-3-amine.
What is the SMILES notation for 1-(2-ethylazepan-1-yl)-4-methoxy-4-methylpentan-3-amine?
The canonical SMILES for 1-(2-ethylazepan-1-yl)-4-methoxy-4-methylpentan-3-amine is CCC1CCCCCN1CCC(N)C(C)(C)OC.
What is the InChIKey of 1-(2-ethylazepan-1-yl)-4-methoxy-4-methylpentan-3-amine?
The InChIKey is SPWFCWBXCOQUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-13-9-7-6-8-11-17(13)12-10-14(16)15(2,3)18-4/h13-14H,5-12,16H2,1-4H3.
What are the key properties of 1-(2-ethylazepan-1-yl)-4-methoxy-4-methylpentan-3-amine?
1-(2-ethylazepan-1-yl)-4-methoxy-4-methylpentan-3-amine has a molecular weight of 256.43 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylazepan-1-yl)-4-methoxy-4-methylpentan-3-amine is sourced from PubChem (CID 114229188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).