tert-butyl N-[(1S,2S)-2-(cyclohexylamino)cyclohexyl]carbamate

C17H32N2O2 — CID 129409949

IUPACtert-butyl N-[(1S,2S)-2-(cyclohexylamino)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1NC1CCCCC1
InChIInChI=1S/C17H32N2O2/c1-17(2,3)21-16(20)19-15-12-8-7-11-14(15)18-13-9-5-4-6-10-13/h13-15,18H,4-12H2,1-3H3,(H,19,20)/t14-,15-/m0/s1
InChIKeyNIXRWAKIVVHSPX-GJZGRUSLSA-N
MW296.45 g/mol
LogP3.74
Rot. Bonds3

About tert-butyl N-[(1S,2S)-2-(cyclohexylamino)cyclohexyl]carbamate

tert-butyl N-[(1S,2S)-2-(cyclohexylamino)cyclohexyl]carbamate (PubChem CID 129409949) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is tert-butyl N-[(1S,2S)-2-(cyclohexylamino)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2S)-2-(cyclohexylamino)cyclohexyl]carbamate
PubChem CID129409949
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nametert-butyl N-[(1S,2S)-2-(cyclohexylamino)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1NC1CCCCC1
InChIInChI=1S/C17H32N2O2/c1-17(2,3)21-16(20)19-15-12-8-7-11-14(15)18-13-9-5-4-6-10-13/h13-15,18H,4-12H2,1-3H3,(H,19,20)/t14-,15-/m0/s1
InChIKeyNIXRWAKIVVHSPX-GJZGRUSLSA-N
XLogP3.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(azepan-4-ylamino)cycloheptyl]carbamate
CID 107244081
tert-butyl N-[2-[(1-methylpiperidin-3-yl)amino]cycloheptyl]carbamate
CID 103082525
tert-butyl N-[2-(pyrrolidin-3-ylamino)cycloheptyl]carbamate
CID 107244169
tert-butyl N-[2-[(1-methylpiperidin-4-yl)amino]cyclopentyl]carbamate
CID 86794453
tert-butyl N-[(3R,4S)-4-(cyclopentylamino)oxan-3-yl]carbamate
CID 67358949
tert-butyl N-[2-[(4-ethylcycloheptyl)amino]cyclopentyl]carbamate
CID 107243613
tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate
CID 163904666
tert-butyl N-[3-(cycloheptylamino)cyclopentyl]carbamate
CID 79461407
tert-butyl N-[2-[(2,6-dimethylcyclohexyl)amino]cyclopentyl]carbamate
CID 107243716
tert-butyl N-[(1S,2R)-2-(propan-2-ylamino)cyclohexyl]carbamate
CID 96555526
cis-(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptane-1-carboxylic acid
CID 17039480
tert-butyl N-[2-(cyclopropylmethylamino)cycloheptyl]carbamate
CID 103082520

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2S)-2-(cyclohexylamino)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2S)-2-(cyclohexylamino)cyclohexyl]carbamate (CID 129409949) is tert-butyl N-[(1S,2S)-2-(cyclohexylamino)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2S)-2-(cyclohexylamino)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2S)-2-(cyclohexylamino)cyclohexyl]carbamate is CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1NC1CCCCC1.
What is the InChIKey of tert-butyl N-[(1S,2S)-2-(cyclohexylamino)cyclohexyl]carbamate?
The InChIKey is NIXRWAKIVVHSPX-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-17(2,3)21-16(20)19-15-12-8-7-11-14(15)18-13-9-5-4-6-10-13/h13-15,18H,4-12H2,1-3H3,(H,19,20)/t14-,15-/m0/s1.
What are the key properties of tert-butyl N-[(1S,2S)-2-(cyclohexylamino)cyclohexyl]carbamate?
tert-butyl N-[(1S,2S)-2-(cyclohexylamino)cyclohexyl]carbamate has a molecular weight of 296.45 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2S)-2-(cyclohexylamino)cyclohexyl]carbamate is sourced from PubChem (CID 129409949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).