tert-butyl N-[2-methyl-1-[(4-methylcyclohexyl)methylamino]propan-2-yl]carbamate

C17H34N2O2 — CID 107249903

IUPACtert-butyl N-[2-methyl-1-[(4-methylcyclohexyl)methylamino]propan-2-yl]carbamate
SMILESCC1CCC(CNCC(C)(C)NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H34N2O2/c1-13-7-9-14(10-8-13)11-18-12-17(5,6)19-15(20)21-16(2,3)4/h13-14,18H,7-12H2,1-6H3,(H,19,20)
InChIKeyRTJNHQQRXOIVQS-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.71
Rot. Bonds5

About tert-butyl N-[2-methyl-1-[(4-methylcyclohexyl)methylamino]propan-2-yl]carbamate

tert-butyl N-[2-methyl-1-[(4-methylcyclohexyl)methylamino]propan-2-yl]carbamate (PubChem CID 107249903) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is tert-butyl N-[2-methyl-1-[(4-methylcyclohexyl)methylamino]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methyl-1-[(4-methylcyclohexyl)methylamino]propan-2-yl]carbamate
PubChem CID107249903
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Nametert-butyl N-[2-methyl-1-[(4-methylcyclohexyl)methylamino]propan-2-yl]carbamate
SMILESCC1CCC(CNCC(C)(C)NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H34N2O2/c1-13-7-9-14(10-8-13)11-18-12-17(5,6)19-15(20)21-16(2,3)4/h13-14,18H,7-12H2,1-6H3,(H,19,20)
InChIKeyRTJNHQQRXOIVQS-UHFFFAOYSA-N
XLogP3.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[2-methyl-1-[(4-methylcyclohexyl)methylamino]propan-2-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 2-[(4-methylcyclohexyl)methylamino]acetate
CID 63243388
2,2-dimethyl-N-[(4-methylcyclohexyl)methyl]propan-1-amine
CID 63001387
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[1-(heptylamino)-2-methylpropan-2-yl]carbamate
CID 107250019
tert-butyl N-(cyclopropylmethylamino)carbamate
CID 67491579
tert-butyl N-[2-[(4-methylcyclohexyl)methylamino]butyl]carbamate
CID 107250880
tert-butyl N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]carbamate
CID 107249963
N-(cyclopropylmethyl)-1-(4-methylcyclohexyl)methanamine
CID 63001385
tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[(4-methylcyclohexyl)methylamino]ethyl]carbamate;4-methylcyclohexane-1-carbaldehyde
CID 157419869
tert-butyl N-[3-[[(4-methylcycloheptyl)amino]methyl]pentan-3-yl]carbamate
CID 107251671
2-ethyl-2-[[(4-methylcyclohexyl)methylamino]methyl]butanoic acid
CID 122128807
tert-butyl N-[2-[(4-methylcyclohexyl)methylamino]ethyl]-N-propan-2-ylcarbamate
CID 107245646

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methyl-1-[(4-methylcyclohexyl)methylamino]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-methyl-1-[(4-methylcyclohexyl)methylamino]propan-2-yl]carbamate (CID 107249903) is tert-butyl N-[2-methyl-1-[(4-methylcyclohexyl)methylamino]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methyl-1-[(4-methylcyclohexyl)methylamino]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-methyl-1-[(4-methylcyclohexyl)methylamino]propan-2-yl]carbamate is CC1CCC(CNCC(C)(C)NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[2-methyl-1-[(4-methylcyclohexyl)methylamino]propan-2-yl]carbamate?
The InChIKey is RTJNHQQRXOIVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-13-7-9-14(10-8-13)11-18-12-17(5,6)19-15(20)21-16(2,3)4/h13-14,18H,7-12H2,1-6H3,(H,19,20).
What are the key properties of tert-butyl N-[2-methyl-1-[(4-methylcyclohexyl)methylamino]propan-2-yl]carbamate?
tert-butyl N-[2-methyl-1-[(4-methylcyclohexyl)methylamino]propan-2-yl]carbamate has a molecular weight of 298.47 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-methyl-1-[(4-methylcyclohexyl)methylamino]propan-2-yl]carbamate is sourced from PubChem (CID 107249903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).