N-[2-(2-ethylazepan-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine

C16H34N2O — CID 103227231

IUPACN-[2-(2-ethylazepan-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine
SMILESCCC1CCCCCN1C(CNCC(C)C)COC
InChIInChI=1S/C16H34N2O/c1-5-15-9-7-6-8-10-18(15)16(13-19-4)12-17-11-14(2)3/h14-17H,5-13H2,1-4H3
InChIKeyFITUOWKUFXWMNF-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.90
Rot. Bonds8

About N-[2-(2-ethylazepan-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine

N-[2-(2-ethylazepan-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine (PubChem CID 103227231) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N-[2-(2-ethylazepan-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(2-ethylazepan-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine
PubChem CID103227231
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN-[2-(2-ethylazepan-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine
SMILESCCC1CCCCCN1C(CNCC(C)C)COC
InChIInChI=1S/C16H34N2O/c1-5-15-9-7-6-8-10-18(15)16(13-19-4)12-17-11-14(2)3/h14-17H,5-13H2,1-4H3
InChIKeyFITUOWKUFXWMNF-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-ethylpiperidin-1-yl)propyl]-2-methylpropan-1-amine
CID 62417609
N-[2-(2-ethylpyrrolidin-1-yl)-3-methoxypropyl]cyclopropanamine
CID 103225163
4-(2-ethylazepan-1-yl)-5-methoxypentan-1-amine
CID 103392020
N-[2-(2-ethylpyrrolidin-1-yl)propyl]-2-methylpropan-1-amine
CID 62438040
3-methoxy-N-methyl-2-(2-propylpiperidin-1-yl)propan-1-amine
CID 103227164
3-(2-ethylazepan-1-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 104692283
3-methoxy-N-methyl-2-(2-methylpiperidin-1-yl)propan-1-amine
CID 103225220
N-[2-(4-ethoxypiperidin-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine
CID 103225839
N-[2-(2-ethylazepan-1-yl)butyl]cyclopropanamine
CID 113441989
2-[1-(1-methoxybutan-2-yl)piperidin-2-yl]acetic acid
CID 65063547
2-(2-ethylazepan-1-yl)-N,3-dimethylbutan-1-amine
CID 104692341
2-(azepan-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 62437423

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylazepan-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(2-ethylazepan-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine (CID 103227231) is N-[2-(2-ethylazepan-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(2-ethylazepan-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(2-ethylazepan-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine is CCC1CCCCCN1C(CNCC(C)C)COC.
What is the InChIKey of N-[2-(2-ethylazepan-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine?
The InChIKey is FITUOWKUFXWMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-5-15-9-7-6-8-10-18(15)16(13-19-4)12-17-11-14(2)3/h14-17H,5-13H2,1-4H3.
What are the key properties of N-[2-(2-ethylazepan-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine?
N-[2-(2-ethylazepan-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylazepan-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103227231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).