tert-butyl N-cycloheptyl-N-[2-(pentan-3-ylamino)ethyl]carbamate

C19H38N2O2 — CID 107251904

IUPACtert-butyl N-cycloheptyl-N-[2-(pentan-3-ylamino)ethyl]carbamate
SMILESCCC(CC)NCCN(C(=O)OC(C)(C)C)C1CCCCCC1
InChIInChI=1S/C19H38N2O2/c1-6-16(7-2)20-14-15-21(18(22)23-19(3,4)5)17-12-10-8-9-11-13-17/h16-17,20H,6-15H2,1-5H3
InChIKeyPLTBIHUOJJNBFX-UHFFFAOYSA-N
MW326.53 g/mol
LogP4.72
Rot. Bonds7

About tert-butyl N-cycloheptyl-N-[2-(pentan-3-ylamino)ethyl]carbamate

tert-butyl N-cycloheptyl-N-[2-(pentan-3-ylamino)ethyl]carbamate (PubChem CID 107251904) has the molecular formula C19H38N2O2 and a molecular weight of 326.53 g/mol. Its IUPAC name is tert-butyl N-cycloheptyl-N-[2-(pentan-3-ylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-cycloheptyl-N-[2-(pentan-3-ylamino)ethyl]carbamate
PubChem CID107251904
Molecular FormulaC19H38N2O2
Molecular Weight326.53 g/mol
Exact Mass326.29
IUPAC Nametert-butyl N-cycloheptyl-N-[2-(pentan-3-ylamino)ethyl]carbamate
SMILESCCC(CC)NCCN(C(=O)OC(C)(C)C)C1CCCCCC1
InChIInChI=1S/C19H38N2O2/c1-6-16(7-2)20-14-15-21(18(22)23-19(3,4)5)17-12-10-8-9-11-13-17/h16-17,20H,6-15H2,1-5H3
InChIKeyPLTBIHUOJJNBFX-UHFFFAOYSA-N
XLogP4.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(1-cyclopentylethylamino)ethyl]-N-cyclopropylcarbamate
CID 107246341
tert-butyl N-cycloheptyl-N-[2-(3-methylsulfanylpropylamino)ethyl]carbamate
CID 107251907
methyl 2-[2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylamino]propanoate
CID 103711065
tert-butyl N-cyclopropyl-N-[2-(1-cyclopropylpropan-2-ylamino)ethyl]carbamate
CID 103780880
tert-butyl N-cyclopropyl-N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]ethyl]carbamate
CID 103780903
tert-butyl N-cyclopropyl-N-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]carbamate
CID 107246413
tert-butyl N-cyclopropyl-N-[2-(2-methylpropylamino)ethyl]carbamate
CID 103880529
ethyl 3-[cyclopentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 22397343
2-[cyclooctyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 22476048
tert-butyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate
CID 22397314
tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]propyl]carbamate
CID 135248450
tert-butyl N-cyclohexyl-N-(2-hydroxy-2-methylbutyl)carbamate
CID 174542178

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cycloheptyl-N-[2-(pentan-3-ylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-cycloheptyl-N-[2-(pentan-3-ylamino)ethyl]carbamate (CID 107251904) is tert-butyl N-cycloheptyl-N-[2-(pentan-3-ylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-cycloheptyl-N-[2-(pentan-3-ylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-cycloheptyl-N-[2-(pentan-3-ylamino)ethyl]carbamate is CCC(CC)NCCN(C(=O)OC(C)(C)C)C1CCCCCC1.
What is the InChIKey of tert-butyl N-cycloheptyl-N-[2-(pentan-3-ylamino)ethyl]carbamate?
The InChIKey is PLTBIHUOJJNBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-6-16(7-2)20-14-15-21(18(22)23-19(3,4)5)17-12-10-8-9-11-13-17/h16-17,20H,6-15H2,1-5H3.
What are the key properties of tert-butyl N-cycloheptyl-N-[2-(pentan-3-ylamino)ethyl]carbamate?
tert-butyl N-cycloheptyl-N-[2-(pentan-3-ylamino)ethyl]carbamate has a molecular weight of 326.53 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cycloheptyl-N-[2-(pentan-3-ylamino)ethyl]carbamate is sourced from PubChem (CID 107251904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).