Tert-butyl N-[[2-[(3,3-dimethylcyclohexyl)amino]cyclopentyl]methyl]carbamate

Name: Tert-butyl N-[[2-[(3,3-dimethylcyclohexyl)amino]cyclopentyl]methyl]carbamate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₉H₃₆N₂O₂ — CID 103819112

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACtert-butyl N-[[2-[(3,3-dimethylcyclohexyl)amino]cyclopentyl]methyl]carbamate

SMILESCC1(C)CCCC(NC2CCCC2CNC(=O)OC(C)(C)C)C1

InChIInChI=1S/C19H36N2O2/c1-18(2,3)23-17(22)20-13-14-8-6-10-16(14)21-15-9-7-11-19(4,5)12-15/h14-16,21H,6-13H2,1-5H3,(H,20,22)

InChIKeyNQPYCIFSVHATKF-UHFFFAOYSA-N

MW324.51 g/mol

LogP4.24

Rot. Bonds4

About Tert-butyl N-[[2-[(3,3-dimethylcyclohexyl)amino]cyclopentyl]methyl]carbamate

Tert-butyl N-[[2-[(3,3-dimethylcyclohexyl)amino]cyclopentyl]methyl]carbamate (PubChem CID 103819112) has the molecular formula C₁₉H₃₆N₂O₂ and a molecular weight of 324.51 g/mol. Its IUPAC name is tert-butyl N-[[2-[(3,3-dimethylcyclohexyl)amino]cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Name	Tert-butyl N-[[2-[(3,3-dimethylcyclohexyl)amino]cyclopentyl]methyl]carbamate
PubChem CID	103819112
Molecular Formula	C₁₉H₃₆N₂O₂
Molecular Weight	324.51 g/mol
Exact Mass	324.28
IUPAC Name	tert-butyl N-[[2-[(3,3-dimethylcyclohexyl)amino]cyclopentyl]methyl]carbamate
SMILES	CC1(C)CCCC(NC2CCCC2CNC(=O)OC(C)(C)C)C1
InChI	InChI=1S/C19H36N2O2/c1-18(2,3)23-17(22)20-13-14-8-6-10-16(14)21-15-9-7-11-19(4,5)12-15/h14-16,21H,6-13H2,1-5H3,(H,20,22)
InChIKey	NQPYCIFSVHATKF-UHFFFAOYSA-N
XLogP	4.24
TPSA	50.36 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	4
Heavy Atoms	23
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	324.51
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Tert-butyl N-[[2-[(3,3-dimethylcyclohexyl)amino]cyclopentyl]methyl]carbamate?

The IUPAC name of Tert-butyl N-[[2-[(3,3-dimethylcyclohexyl)amino]cyclopentyl]methyl]carbamate (CID 103819112) is tert-butyl N-[[2-[(3,3-dimethylcyclohexyl)amino]cyclopentyl]methyl]carbamate.

What is the SMILES notation for Tert-butyl N-[[2-[(3,3-dimethylcyclohexyl)amino]cyclopentyl]methyl]carbamate?

The canonical SMILES for Tert-butyl N-[[2-[(3,3-dimethylcyclohexyl)amino]cyclopentyl]methyl]carbamate is CC1(C)CCCC(NC2CCCC2CNC(=O)OC(C)(C)C)C1.

What is the InChIKey of Tert-butyl N-[[2-[(3,3-dimethylcyclohexyl)amino]cyclopentyl]methyl]carbamate?

The InChIKey is NQPYCIFSVHATKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O2/c1-18(2,3)23-17(22)20-13-14-8-6-10-16(14)21-15-9-7-11-19(4,5)12-15/h14-16,21H,6-13H2,1-5H3,(H,20,22).

What are the key properties of Tert-butyl N-[[2-[(3,3-dimethylcyclohexyl)amino]cyclopentyl]methyl]carbamate?

Tert-butyl N-[[2-[(3,3-dimethylcyclohexyl)amino]cyclopentyl]methyl]carbamate has a molecular weight of 324.51 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl N-[[2-[(3,3-dimethylcyclohexyl)amino]cyclopentyl]methyl]carbamate is sourced from PubChem (CID 103819112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 103819112 — identifiers, structure, computed properties (public domain)

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