methyl N-(1-ethylazepan-4-yl)carbamate

C10H20N2O2 — CID 166167554

IUPACmethyl N-(1-ethylazepan-4-yl)carbamate
SMILESCCN1CCCC(NC(=O)OC)CC1
InChIInChI=1S/C10H20N2O2/c1-3-12-7-4-5-9(6-8-12)11-10(13)14-2/h9H,3-8H2,1-2H3,(H,11,13)
InChIKeyIWVUUOVUKORSQK-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.22
Rot. Bonds2

About methyl N-(1-ethylazepan-4-yl)carbamate

methyl N-(1-ethylazepan-4-yl)carbamate (PubChem CID 166167554) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl N-(1-ethylazepan-4-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-ethylazepan-4-yl)carbamate
PubChem CID166167554
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namemethyl N-(1-ethylazepan-4-yl)carbamate
SMILESCCN1CCCC(NC(=O)OC)CC1
InChIInChI=1S/C10H20N2O2/c1-3-12-7-4-5-9(6-8-12)11-10(13)14-2/h9H,3-8H2,1-2H3,(H,11,13)
InChIKeyIWVUUOVUKORSQK-UHFFFAOYSA-N
XLogP1.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-(1-ethylpyrrolidin-3-yl)carbamate
CID 67579436
methyl (2S)-2-[(1-ethylazepan-4-yl)amino]propanoate
CID 65074522
methyl N-[1-(2,2-dimethylpropyl)piperidin-4-yl]carbamate
CID 168761202
methyl N-[1-(2-oxoethyl)piperidin-4-yl]carbamate
CID 54147473
N-cyclopropyl-3-[(1-ethylazepan-4-yl)amino]propanamide
CID 79393828
[(3R)-1-ethylpiperidin-3-yl] N-cyclohexylcarbamate
CID 869561
methyl N-cyclohexadecylcarbamate
CID 131977131
1-ethyl-N-methylazepan-4-amine;methyl formate
CID 170601459
2-[(1-ethylazepan-4-yl)amino]acetic acid
CID 65074488
(1-ethylpiperidin-4-yl)carbamic acid;hydrochloride
CID 68989076
tert-butyl N-[(4S)-1-(2-aminoethyl)azepan-4-yl]carbamate
CID 70931463
1-cyclopentyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589989

Frequently Asked Questions

What is the IUPAC name of methyl N-(1-ethylazepan-4-yl)carbamate?
The IUPAC name of methyl N-(1-ethylazepan-4-yl)carbamate (CID 166167554) is methyl N-(1-ethylazepan-4-yl)carbamate.
What is the SMILES notation for methyl N-(1-ethylazepan-4-yl)carbamate?
The canonical SMILES for methyl N-(1-ethylazepan-4-yl)carbamate is CCN1CCCC(NC(=O)OC)CC1.
What is the InChIKey of methyl N-(1-ethylazepan-4-yl)carbamate?
The InChIKey is IWVUUOVUKORSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-12-7-4-5-9(6-8-12)11-10(13)14-2/h9H,3-8H2,1-2H3,(H,11,13).
What are the key properties of methyl N-(1-ethylazepan-4-yl)carbamate?
methyl N-(1-ethylazepan-4-yl)carbamate has a molecular weight of 200.28 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-ethylazepan-4-yl)carbamate is sourced from PubChem (CID 166167554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).