methyl N-[3-[(3-aminocyclohexyl)amino]phenyl]carbamate

C14H21N3O2 — CID 79459255

IUPACmethyl N-[3-[(3-aminocyclohexyl)amino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC2CCCC(N)C2)c1
InChIInChI=1S/C14H21N3O2/c1-19-14(18)17-13-7-3-6-12(9-13)16-11-5-2-4-10(15)8-11/h3,6-7,9-11,16H,2,4-5,8,15H2,1H3,(H,17,18)
InChIKeyQTFLITRIHZRFSI-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.55
Rot. Bonds3

About methyl N-[3-[(3-aminocyclohexyl)amino]phenyl]carbamate

methyl N-[3-[(3-aminocyclohexyl)amino]phenyl]carbamate (PubChem CID 79459255) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl N-[3-[(3-aminocyclohexyl)amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[(3-aminocyclohexyl)amino]phenyl]carbamate
PubChem CID79459255
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Namemethyl N-[3-[(3-aminocyclohexyl)amino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC2CCCC(N)C2)c1
InChIInChI=1S/C14H21N3O2/c1-19-14(18)17-13-7-3-6-12(9-13)16-11-5-2-4-10(15)8-11/h3,6-7,9-11,16H,2,4-5,8,15H2,1H3,(H,17,18)
InChIKeyQTFLITRIHZRFSI-UHFFFAOYSA-N
XLogP2.55
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[3-[(3-methylcyclohexyl)amino]phenyl]carbamate
CID 54864154
tert-butyl N-[3-[(3-aminocyclopentyl)amino]phenyl]carbamate
CID 107239958
1-N-(3-methylphenyl)cyclohexane-1,3-diamine
CID 79458335
methyl N-[3-[(1-methylazepan-4-yl)amino]phenyl]carbamate
CID 65070487
N-[4-[(3-aminocyclohexyl)amino]-2-methoxyphenyl]acetamide
CID 79458739
N-[3-[(3-aminocyclopentyl)amino]phenyl]cyclopropanecarboxamide
CID 79462712
methyl N-[3-[(1-carbamoylpiperidin-4-yl)amino]phenyl]carbamate
CID 60942471
1-N-(3-propoxyphenyl)cyclohexane-1,3-diamine
CID 79458462
methyl N-[3-[(1-propan-2-ylpiperidin-4-yl)amino]phenyl]carbamate
CID 60944093
4-[(3-aminocyclohexyl)amino]benzamide
CID 79458720
methyl N-[4-(cyclooctylamino)phenyl]carbamate
CID 43730245
N-[3-[(3-cyclopropylcyclohexyl)amino]phenyl]-2-hydroxyacetamide
CID 84593935

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[(3-aminocyclohexyl)amino]phenyl]carbamate?
The IUPAC name of methyl N-[3-[(3-aminocyclohexyl)amino]phenyl]carbamate (CID 79459255) is methyl N-[3-[(3-aminocyclohexyl)amino]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-[(3-aminocyclohexyl)amino]phenyl]carbamate?
The canonical SMILES for methyl N-[3-[(3-aminocyclohexyl)amino]phenyl]carbamate is COC(=O)Nc1cccc(NC2CCCC(N)C2)c1.
What is the InChIKey of methyl N-[3-[(3-aminocyclohexyl)amino]phenyl]carbamate?
The InChIKey is QTFLITRIHZRFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-19-14(18)17-13-7-3-6-12(9-13)16-11-5-2-4-10(15)8-11/h3,6-7,9-11,16H,2,4-5,8,15H2,1H3,(H,17,18).
What are the key properties of methyl N-[3-[(3-aminocyclohexyl)amino]phenyl]carbamate?
methyl N-[3-[(3-aminocyclohexyl)amino]phenyl]carbamate has a molecular weight of 263.34 g/mol, XLogP of 2.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[(3-aminocyclohexyl)amino]phenyl]carbamate is sourced from PubChem (CID 79459255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).