tert-butyl N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]carbamate

C18H36N2O2 — CID 107249963

IUPACtert-butyl N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]carbamate
SMILESCCC1CCCC(NCC(C)(C)NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H36N2O2/c1-7-14-9-8-10-15(12-11-14)19-13-18(5,6)20-16(21)22-17(2,3)4/h14-15,19H,7-13H2,1-6H3,(H,20,21)
InChIKeyAKIJWADONMPTES-UHFFFAOYSA-N
MW312.50 g/mol
LogP4.24
Rot. Bonds5

About tert-butyl N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]carbamate

tert-butyl N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]carbamate (PubChem CID 107249963) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is tert-butyl N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]carbamate
PubChem CID107249963
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC Nametert-butyl N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]carbamate
SMILESCCC1CCCC(NCC(C)(C)NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H36N2O2/c1-7-14-9-8-10-15(12-11-14)19-13-18(5,6)20-16(21)22-17(2,3)4/h14-15,19H,7-13H2,1-6H3,(H,20,21)
InChIKeyAKIJWADONMPTES-UHFFFAOYSA-N
XLogP4.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-[[(4-ethylcyclohexyl)amino]methyl]pentan-3-yl]carbamate
CID 107251589
tert-butyl N-[2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]carbamate
CID 104624550
tert-butyl N-[1-[(3-methoxycyclohexyl)amino]-2-methylpropan-2-yl]carbamate
CID 104624820
tert-butyl N-[2-methyl-1-[(1-methylpiperidin-3-yl)amino]propan-2-yl]carbamate
CID 104624574
tert-butyl N-[3-[[(4-methylcycloheptyl)amino]methyl]pentan-3-yl]carbamate
CID 107251671
tert-butyl N-[2-[(4-ethylcycloheptyl)amino]cyclopentyl]carbamate
CID 107243613
N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 65088547
N-(2,2-dimethylbutyl)-4-ethylcycloheptan-1-amine
CID 103460646
3-[(4-ethylcycloheptyl)amino]-2-methylpropane-1,2-diol
CID 66169877
tert-butyl N-[2-[(4-ethylcycloheptyl)amino]pentyl]carbamate
CID 107253652
tert-butyl N-[2,2-difluoro-3-[(4-methylcycloheptyl)amino]propyl]carbamate
CID 107257414
tert-butyl N-[2-methyl-1-[(4-methylcyclohexyl)methylamino]propan-2-yl]carbamate
CID 107249903

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]carbamate (CID 107249963) is tert-butyl N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]carbamate is CCC1CCCC(NCC(C)(C)NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]carbamate?
The InChIKey is AKIJWADONMPTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-7-14-9-8-10-15(12-11-14)19-13-18(5,6)20-16(21)22-17(2,3)4/h14-15,19H,7-13H2,1-6H3,(H,20,21).
What are the key properties of tert-butyl N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]carbamate?
tert-butyl N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]carbamate has a molecular weight of 312.50 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]carbamate is sourced from PubChem (CID 107249963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).