tert-butyl N-(3-aminopropyl)-N-(4-methylcyclohexyl)carbamate

C15H30N2O2 — CID 50987781

IUPACtert-butyl N-(3-aminopropyl)-N-(4-methylcyclohexyl)carbamate
SMILESCC1CCC(N(CCCN)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H30N2O2/c1-12-6-8-13(9-7-12)17(11-5-10-16)14(18)19-15(2,3)4/h12-13H,5-11,16H2,1-4H3
InChIKeyLCMHYFHJXDCKGQ-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.15
Rot. Bonds4

About tert-butyl N-(3-aminopropyl)-N-(4-methylcyclohexyl)carbamate

tert-butyl N-(3-aminopropyl)-N-(4-methylcyclohexyl)carbamate (PubChem CID 50987781) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is tert-butyl N-(3-aminopropyl)-N-(4-methylcyclohexyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-aminopropyl)-N-(4-methylcyclohexyl)carbamate
PubChem CID50987781
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nametert-butyl N-(3-aminopropyl)-N-(4-methylcyclohexyl)carbamate
SMILESCC1CCC(N(CCCN)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H30N2O2/c1-12-6-8-13(9-7-12)17(11-5-10-16)14(18)19-15(2,3)4/h12-13H,5-11,16H2,1-4H3
InChIKeyLCMHYFHJXDCKGQ-UHFFFAOYSA-N
XLogP3.15
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-butyl-N-cyclopropylcarbamate
CID 63788161
methyl N-(3-aminopropyl)-N-cyclopropylcarbamate
CID 43137085
tert-butyl N-(2-aminoethyl)-N-(oxan-4-yl)carbamate
CID 50986378
tert-butyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate
CID 22397314
tert-butyl N-(2-aminoethyl)-N-(2-methylcyclohexyl)carbamate
CID 50987788
tert-butyl N-(1-aminopiperidin-4-yl)-N-propylcarbamate
CID 71276149
tert-butyl N-cyclopropyl-N-[3-(prop-2-ynylamino)propyl]carbamate
CID 107242920
ethyl 4-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate
CID 124907567
tert-butyl N-(4-methylcyclohexyl)-N-(oxan-4-yl)carbamate
CID 155630413
tert-butyl N-(3-fluoropropyl)-N-[(3S)-pyrrolidin-3-yl]carbamate
CID 58365097
tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]propyl]carbamate
CID 135248450
tert-butyl N-cyclopropyl-N-(3-oxohex-5-ynyl)carbamate
CID 165471654

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-aminopropyl)-N-(4-methylcyclohexyl)carbamate?
The IUPAC name of tert-butyl N-(3-aminopropyl)-N-(4-methylcyclohexyl)carbamate (CID 50987781) is tert-butyl N-(3-aminopropyl)-N-(4-methylcyclohexyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-aminopropyl)-N-(4-methylcyclohexyl)carbamate?
The canonical SMILES for tert-butyl N-(3-aminopropyl)-N-(4-methylcyclohexyl)carbamate is CC1CCC(N(CCCN)C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-(3-aminopropyl)-N-(4-methylcyclohexyl)carbamate?
The InChIKey is LCMHYFHJXDCKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-12-6-8-13(9-7-12)17(11-5-10-16)14(18)19-15(2,3)4/h12-13H,5-11,16H2,1-4H3.
What are the key properties of tert-butyl N-(3-aminopropyl)-N-(4-methylcyclohexyl)carbamate?
tert-butyl N-(3-aminopropyl)-N-(4-methylcyclohexyl)carbamate has a molecular weight of 270.42 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-aminopropyl)-N-(4-methylcyclohexyl)carbamate is sourced from PubChem (CID 50987781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).