tert-butyl N-[3-[[(4-ethylcyclohexyl)amino]methyl]pentan-3-yl]carbamate

C19H38N2O2 — CID 107251589

IUPACtert-butyl N-[3-[[(4-ethylcyclohexyl)amino]methyl]pentan-3-yl]carbamate
SMILESCCC1CCC(NCC(CC)(CC)NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H38N2O2/c1-7-15-10-12-16(13-11-15)20-14-19(8-2,9-3)21-17(22)23-18(4,5)6/h15-16,20H,7-14H2,1-6H3,(H,21,22)
InChIKeyUTQGLDVMKGLEKH-UHFFFAOYSA-N
MW326.53 g/mol
LogP4.63
Rot. Bonds7

About tert-butyl N-[3-[[(4-ethylcyclohexyl)amino]methyl]pentan-3-yl]carbamate

tert-butyl N-[3-[[(4-ethylcyclohexyl)amino]methyl]pentan-3-yl]carbamate (PubChem CID 107251589) has the molecular formula C19H38N2O2 and a molecular weight of 326.53 g/mol. Its IUPAC name is tert-butyl N-[3-[[(4-ethylcyclohexyl)amino]methyl]pentan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[(4-ethylcyclohexyl)amino]methyl]pentan-3-yl]carbamate
PubChem CID107251589
Molecular FormulaC19H38N2O2
Molecular Weight326.53 g/mol
Exact Mass326.29
IUPAC Nametert-butyl N-[3-[[(4-ethylcyclohexyl)amino]methyl]pentan-3-yl]carbamate
SMILESCCC1CCC(NCC(CC)(CC)NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H38N2O2/c1-7-15-10-12-16(13-11-15)20-14-19(8-2,9-3)21-17(22)23-18(4,5)6/h15-16,20H,7-14H2,1-6H3,(H,21,22)
InChIKeyUTQGLDVMKGLEKH-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

Analyze tert-butyl N-[3-[[(4-ethylcyclohexyl)amino]methyl]pentan-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]carbamate
CID 107249963
tert-butyl N-[3-[[(4-methylcycloheptyl)amino]methyl]pentan-3-yl]carbamate
CID 107251671
tert-butyl N-[3-[[(3-methylcyclobutyl)amino]methyl]pentan-3-yl]carbamate
CID 104859858
tert-butyl N-[3-(hydroxymethyl)pentan-3-yl]carbamate
CID 62517962
4-ethyl-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine
CID 115656258
tert-butyl N-[3-[(2,2-dimethylpropylamino)methyl]pentan-3-yl]carbamate
CID 103714780
tert-butyl N-[2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]carbamate
CID 104624550
tert-butyl N-[3-[(4-ethylcyclohexyl)amino]cyclopentyl]carbamate
CID 103719843
tert-butyl N-[3-[[(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)amino]methyl]pentan-3-yl]carbamate
CID 114223470
tert-butyl N-[2-[(4-ethylcycloheptyl)amino]cyclopentyl]carbamate
CID 107243613
N-(2,2-dimethylbutyl)-4-ethylcycloheptan-1-amine
CID 103460646
tert-butyl 2-[[(4-ethylcyclohexyl)amino]methyl]pyrrolidine-1-carboxylate
CID 106638143

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[(4-ethylcyclohexyl)amino]methyl]pentan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[3-[[(4-ethylcyclohexyl)amino]methyl]pentan-3-yl]carbamate (CID 107251589) is tert-butyl N-[3-[[(4-ethylcyclohexyl)amino]methyl]pentan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[(4-ethylcyclohexyl)amino]methyl]pentan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[(4-ethylcyclohexyl)amino]methyl]pentan-3-yl]carbamate is CCC1CCC(NCC(CC)(CC)NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[3-[[(4-ethylcyclohexyl)amino]methyl]pentan-3-yl]carbamate?
The InChIKey is UTQGLDVMKGLEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-7-15-10-12-16(13-11-15)20-14-19(8-2,9-3)21-17(22)23-18(4,5)6/h15-16,20H,7-14H2,1-6H3,(H,21,22).
What are the key properties of tert-butyl N-[3-[[(4-ethylcyclohexyl)amino]methyl]pentan-3-yl]carbamate?
tert-butyl N-[3-[[(4-ethylcyclohexyl)amino]methyl]pentan-3-yl]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-[3-[[(4-ethylcyclohexyl)amino]methyl]pentan-3-yl]carbamate is sourced from PubChem (CID 107251589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).