tert-butyl N-[2-[(4-ethylcycloheptyl)amino]pentyl]carbamate

C19H38N2O2 — CID 107253652

IUPACtert-butyl N-[2-[(4-ethylcycloheptyl)amino]pentyl]carbamate
SMILESCCCC(CNC(=O)OC(C)(C)C)NC1CCCC(CC)CC1
InChIInChI=1S/C19H38N2O2/c1-6-9-17(14-20-18(22)23-19(3,4)5)21-16-11-8-10-15(7-2)12-13-16/h15-17,21H,6-14H2,1-5H3,(H,20,22)
InChIKeyAVCYRTXPTKYJCW-UHFFFAOYSA-N
MW326.53 g/mol
LogP4.63
Rot. Bonds7

About tert-butyl N-[2-[(4-ethylcycloheptyl)amino]pentyl]carbamate

tert-butyl N-[2-[(4-ethylcycloheptyl)amino]pentyl]carbamate (PubChem CID 107253652) has the molecular formula C19H38N2O2 and a molecular weight of 326.53 g/mol. Its IUPAC name is tert-butyl N-[2-[(4-ethylcycloheptyl)amino]pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(4-ethylcycloheptyl)amino]pentyl]carbamate
PubChem CID107253652
Molecular FormulaC19H38N2O2
Molecular Weight326.53 g/mol
Exact Mass326.29
IUPAC Nametert-butyl N-[2-[(4-ethylcycloheptyl)amino]pentyl]carbamate
SMILESCCCC(CNC(=O)OC(C)(C)C)NC1CCCC(CC)CC1
InChIInChI=1S/C19H38N2O2/c1-6-9-17(14-20-18(22)23-19(3,4)5)21-16-11-8-10-15(7-2)12-13-16/h15-17,21H,6-14H2,1-5H3,(H,20,22)
InChIKeyAVCYRTXPTKYJCW-UHFFFAOYSA-N
XLogP4.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[(4-methylcycloheptyl)amino]pentyl]carbamate
CID 107253589
tert-butyl N-[2-(cycloheptylamino)hexyl]carbamate
CID 107256430
tert-butyl N-[2-cyclopropyl-2-[(4-ethylcyclohexyl)amino]ethyl]carbamate
CID 103699773
tert-butyl N-[2-(azetidin-3-ylamino)pentyl]carbamate
CID 107253812
tert-butyl N-[2-[(2-ethylcyclopentyl)amino]pentyl]carbamate
CID 107253520
tert-butyl N-[2-cyclopropyl-2-[(3-ethylcyclohexyl)amino]ethyl]carbamate
CID 103699774
tert-butyl N-[2-[[3-(2-methylpropyl)cyclohexyl]amino]butyl]carbamate
CID 107428869
tert-butyl N-[2-(oxepan-4-ylamino)hexyl]carbamate
CID 103894993
tert-butyl N-[2-(1-cyclopropylpropan-2-ylamino)pentyl]carbamate
CID 107253597
tert-butyl N-[2-(piperidin-4-ylamino)hexyl]carbamate
CID 107256495
tert-butyl N-[2-(cyclohexylamino)-4-methylpentyl]carbamate
CID 107252262
tert-butyl N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]butyl]carbamate
CID 107251355

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(4-ethylcycloheptyl)amino]pentyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(4-ethylcycloheptyl)amino]pentyl]carbamate (CID 107253652) is tert-butyl N-[2-[(4-ethylcycloheptyl)amino]pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(4-ethylcycloheptyl)amino]pentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(4-ethylcycloheptyl)amino]pentyl]carbamate is CCCC(CNC(=O)OC(C)(C)C)NC1CCCC(CC)CC1.
What is the InChIKey of tert-butyl N-[2-[(4-ethylcycloheptyl)amino]pentyl]carbamate?
The InChIKey is AVCYRTXPTKYJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-6-9-17(14-20-18(22)23-19(3,4)5)21-16-11-8-10-15(7-2)12-13-16/h15-17,21H,6-14H2,1-5H3,(H,20,22).
What are the key properties of tert-butyl N-[2-[(4-ethylcycloheptyl)amino]pentyl]carbamate?
tert-butyl N-[2-[(4-ethylcycloheptyl)amino]pentyl]carbamate has a molecular weight of 326.53 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(4-ethylcycloheptyl)amino]pentyl]carbamate is sourced from PubChem (CID 107253652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).