tert-butyl N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopentyl]carbamate

C18H34N2O3 — CID 104844803

IUPACtert-butyl N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC1NCC1(CO)CCCCC1
InChIInChI=1S/C18H34N2O3/c1-17(2,3)23-16(22)20-15-9-7-8-14(15)19-12-18(13-21)10-5-4-6-11-18/h14-15,19,21H,4-13H2,1-3H3,(H,20,22)
InChIKeySVHMKJNQJMMNSW-UHFFFAOYSA-N
MW326.48 g/mol
LogP2.96
Rot. Bonds5

About tert-butyl N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopentyl]carbamate

tert-butyl N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopentyl]carbamate (PubChem CID 104844803) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is tert-butyl N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopentyl]carbamate
PubChem CID104844803
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC Nametert-butyl N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC1NCC1(CO)CCCCC1
InChIInChI=1S/C18H34N2O3/c1-17(2,3)23-16(22)20-15-9-7-8-14(15)19-12-18(13-21)10-5-4-6-11-18/h14-15,19,21H,4-13H2,1-3H3,(H,20,22)
InChIKeySVHMKJNQJMMNSW-UHFFFAOYSA-N
XLogP2.96
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopropyl]carbamate
CID 107237595
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]acetic acid
CID 21251921
tert-butyl N-[2-(cyclopropylmethylamino)cycloheptyl]carbamate
CID 103082520
tert-butyl N-[2-(2-methylpropylamino)cycloheptyl]carbamate
CID 103082504
tert-butyl N-[2-(2,2-dimethoxyethylamino)cyclopentyl]carbamate
CID 107243618
trans-(1S,2S)-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopentan-1-ol
CID 102733972
tert-butyl N-[(1S,2S)-2-(ethylamino)cyclobutyl]carbamate
CID 162423539
tert-butyl N-[2-(2,2-dimethoxyethylamino)cycloheptyl]carbamate
CID 107244083
tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
CID 162343214
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptyl]amino]propanoic acid
CID 107244084
cis-(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptane-1-carboxylic acid
CID 17039480
tert-butyl N-[2-(heptylamino)cycloheptyl]carbamate
CID 107244101

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopentyl]carbamate (CID 104844803) is tert-butyl N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopentyl]carbamate is CC(C)(C)OC(=O)NC1CCCC1NCC1(CO)CCCCC1.
What is the InChIKey of tert-butyl N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopentyl]carbamate?
The InChIKey is SVHMKJNQJMMNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-17(2,3)23-16(22)20-15-9-7-8-14(15)19-12-18(13-21)10-5-4-6-11-18/h14-15,19,21H,4-13H2,1-3H3,(H,20,22).
What are the key properties of tert-butyl N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopentyl]carbamate?
tert-butyl N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopentyl]carbamate has a molecular weight of 326.48 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopentyl]carbamate is sourced from PubChem (CID 104844803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).