tert-butyl N-[4-[2-(1-methylimidazol-2-yl)ethylamino]cyclohexyl]carbamate

C17H30N4O2 — CID 103715474

IUPACtert-butyl N-[4-[2-(1-methylimidazol-2-yl)ethylamino]cyclohexyl]carbamate
SMILESCn1ccnc1CCNC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H30N4O2/c1-17(2,3)23-16(22)20-14-7-5-13(6-8-14)18-10-9-15-19-11-12-21(15)4/h11-14,18H,5-10H2,1-4H3,(H,20,22)
InChIKeyTUZQLOXGPWGZIW-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.39
Rot. Bonds5

About tert-butyl N-[4-[2-(1-methylimidazol-2-yl)ethylamino]cyclohexyl]carbamate

tert-butyl N-[4-[2-(1-methylimidazol-2-yl)ethylamino]cyclohexyl]carbamate (PubChem CID 103715474) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl N-[4-[2-(1-methylimidazol-2-yl)ethylamino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-(1-methylimidazol-2-yl)ethylamino]cyclohexyl]carbamate
PubChem CID103715474
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Nametert-butyl N-[4-[2-(1-methylimidazol-2-yl)ethylamino]cyclohexyl]carbamate
SMILESCn1ccnc1CCNC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H30N4O2/c1-17(2,3)23-16(22)20-14-7-5-13(6-8-14)18-10-9-15-19-11-12-21(15)4/h11-14,18H,5-10H2,1-4H3,(H,20,22)
InChIKeyTUZQLOXGPWGZIW-UHFFFAOYSA-N
XLogP2.39
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-methylimidazol-2-yl)ethyl]cyclooctanamine
CID 61214993
tert-butyl N-[4-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate
CID 68885257
tert-butyl N-[3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclopentyl]carbamate
CID 103719905
4-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine
CID 61214727
N-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 61210136
2-amino-2-cyclopropyl-N-[2-(1-methylimidazol-2-yl)ethyl]propanamide
CID 61212990
tert-butyl N-[4-(3-hydroxypropylamino)cyclohexyl]carbamate
CID 79113499
tert-butyl N-[4-(3-aminopropylamino)cyclohexyl]carbamate
CID 79113684
N-[3-methyl-5-(1-methylimidazol-2-yl)pentyl]cyclopropanamine
CID 114532982
N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 61211277
tert-butyl 2-methyl-4-[(1-methylimidazol-2-yl)methylamino]piperidine-1-carboxylate
CID 107095292
tert-butyl N-[2-(hydroxymethyl)-3-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]butyl]carbamate
CID 106507761

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-(1-methylimidazol-2-yl)ethylamino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-(1-methylimidazol-2-yl)ethylamino]cyclohexyl]carbamate (CID 103715474) is tert-butyl N-[4-[2-(1-methylimidazol-2-yl)ethylamino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-(1-methylimidazol-2-yl)ethylamino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-(1-methylimidazol-2-yl)ethylamino]cyclohexyl]carbamate is Cn1ccnc1CCNC1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[4-[2-(1-methylimidazol-2-yl)ethylamino]cyclohexyl]carbamate?
The InChIKey is TUZQLOXGPWGZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-17(2,3)23-16(22)20-14-7-5-13(6-8-14)18-10-9-15-19-11-12-21(15)4/h11-14,18H,5-10H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl N-[4-[2-(1-methylimidazol-2-yl)ethylamino]cyclohexyl]carbamate?
tert-butyl N-[4-[2-(1-methylimidazol-2-yl)ethylamino]cyclohexyl]carbamate has a molecular weight of 322.45 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-(1-methylimidazol-2-yl)ethylamino]cyclohexyl]carbamate is sourced from PubChem (CID 103715474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).