tert-butyl N-[2-(azepan-4-ylamino)-2-cyclopropylethyl]carbamate

C16H31N3O2 — CID 107251793

IUPACtert-butyl N-[2-(azepan-4-ylamino)-2-cyclopropylethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(NC1CCCNCC1)C1CC1
InChIInChI=1S/C16H31N3O2/c1-16(2,3)21-15(20)18-11-14(12-6-7-12)19-13-5-4-9-17-10-8-13/h12-14,17,19H,4-11H2,1-3H3,(H,18,20)
InChIKeyWYOAGNCLJRTPFW-UHFFFAOYSA-N
MW297.44 g/mol
LogP2.02
Rot. Bonds5

About tert-butyl N-[2-(azepan-4-ylamino)-2-cyclopropylethyl]carbamate

tert-butyl N-[2-(azepan-4-ylamino)-2-cyclopropylethyl]carbamate (PubChem CID 107251793) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is tert-butyl N-[2-(azepan-4-ylamino)-2-cyclopropylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(azepan-4-ylamino)-2-cyclopropylethyl]carbamate
PubChem CID107251793
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Nametert-butyl N-[2-(azepan-4-ylamino)-2-cyclopropylethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(NC1CCCNCC1)C1CC1
InChIInChI=1S/C16H31N3O2/c1-16(2,3)21-15(20)18-11-14(12-6-7-12)19-13-5-4-9-17-10-8-13/h12-14,17,19H,4-11H2,1-3H3,(H,18,20)
InChIKeyWYOAGNCLJRTPFW-UHFFFAOYSA-N
XLogP2.02
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-cyclopropyl-2-[(1-oxothian-4-yl)amino]ethyl]carbamate
CID 107251822
tert-butyl N-[2-cyclopropyl-2-[(4-ethylcyclohexyl)amino]ethyl]carbamate
CID 103699773
tert-butyl N-[2-cyclopropyl-2-[(3-ethylcyclohexyl)amino]ethyl]carbamate
CID 103699774
tert-butyl N-[2-cyclopropyl-2-[(1-methylpiperidin-3-yl)amino]ethyl]carbamate
CID 107251790
tert-butyl N-[2-cyclopropyl-2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]ethyl]carbamate
CID 113350804
tert-butyl N-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 97300299
tert-butyl N-[2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 67448024
tert-butyl N-[2-(cycloheptylamino)propyl]carbamate
CID 103387396
tert-butyl N-[2-(piperidin-4-ylamino)hexyl]carbamate
CID 107256495
tert-butyl N-[2-cyclopentyl-2-(3,3-dimethylbutylamino)ethyl]carbamate
CID 107254500
tert-butyl N-[2-cyclohexyl-2-(pentan-3-ylamino)ethyl]carbamate
CID 107252504
tert-butyl N-[2-cyclohexyl-2-(3-methylbutan-2-ylamino)ethyl]carbamate
CID 107252527

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(azepan-4-ylamino)-2-cyclopropylethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(azepan-4-ylamino)-2-cyclopropylethyl]carbamate (CID 107251793) is tert-butyl N-[2-(azepan-4-ylamino)-2-cyclopropylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(azepan-4-ylamino)-2-cyclopropylethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(azepan-4-ylamino)-2-cyclopropylethyl]carbamate is CC(C)(C)OC(=O)NCC(NC1CCCNCC1)C1CC1.
What is the InChIKey of tert-butyl N-[2-(azepan-4-ylamino)-2-cyclopropylethyl]carbamate?
The InChIKey is WYOAGNCLJRTPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-16(2,3)21-15(20)18-11-14(12-6-7-12)19-13-5-4-9-17-10-8-13/h12-14,17,19H,4-11H2,1-3H3,(H,18,20).
What are the key properties of tert-butyl N-[2-(azepan-4-ylamino)-2-cyclopropylethyl]carbamate?
tert-butyl N-[2-(azepan-4-ylamino)-2-cyclopropylethyl]carbamate has a molecular weight of 297.44 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(azepan-4-ylamino)-2-cyclopropylethyl]carbamate is sourced from PubChem (CID 107251793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).