(1-aminocycloheptyl)methyl N-(4-cyanophenyl)carbamate

C16H21N3O2 — CID 79341766

IUPAC(1-aminocycloheptyl)methyl N-(4-cyanophenyl)carbamate
SMILESN#Cc1ccc(NC(=O)OCC2(N)CCCCCC2)cc1
InChIInChI=1S/C16H21N3O2/c17-11-13-5-7-14(8-6-13)19-15(20)21-12-16(18)9-3-1-2-4-10-16/h5-8H,1-4,9-10,12,18H2,(H,19,20)
InChIKeyPHIRLNWEXJBECN-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.16
Rot. Bonds3

About (1-aminocycloheptyl)methyl N-(4-cyanophenyl)carbamate

(1-aminocycloheptyl)methyl N-(4-cyanophenyl)carbamate (PubChem CID 79341766) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (1-aminocycloheptyl)methyl N-(4-cyanophenyl)carbamate.

Molecular Properties

Compound Name(1-aminocycloheptyl)methyl N-(4-cyanophenyl)carbamate
PubChem CID79341766
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(1-aminocycloheptyl)methyl N-(4-cyanophenyl)carbamate
SMILESN#Cc1ccc(NC(=O)OCC2(N)CCCCCC2)cc1
InChIInChI=1S/C16H21N3O2/c17-11-13-5-7-14(8-6-13)19-15(20)21-12-16(18)9-3-1-2-4-10-16/h5-8H,1-4,9-10,12,18H2,(H,19,20)
InChIKeyPHIRLNWEXJBECN-UHFFFAOYSA-N
XLogP3.16
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1-aminocycloheptyl)methyl N-(4-methylphenyl)carbamate
CID 79338062
(1-aminocyclopentyl)methyl N-(4-chlorophenyl)carbamate
CID 79337548
1-[(1-aminocyclohexyl)methyl]-3-(4-cyanophenyl)urea
CID 61300035
(1-aminocyclohexyl)methyl N-(4-methoxyphenyl)carbamate
CID 79337138
2-hydroxyethyl N-(4-cyanophenyl)carbamate
CID 79345947
2-(1-aminocyclopentyl)-N-[4-(cyanomethoxy)phenyl]acetamide
CID 64677584
(1-aminocyclohexyl)methyl N-(3-chlorophenyl)carbamate
CID 79337748
2-(1-aminocyclohexyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 64684065
ethyl N-[4-(4-cyanoanilino)phenyl]carbamate
CID 112990074
benzyl N-(4-cyanophenyl)carbamate
CID 4935649
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclohexyl]urea
CID 62520959

Frequently Asked Questions

What is the IUPAC name of (1-aminocycloheptyl)methyl N-(4-cyanophenyl)carbamate?
The IUPAC name of (1-aminocycloheptyl)methyl N-(4-cyanophenyl)carbamate (CID 79341766) is (1-aminocycloheptyl)methyl N-(4-cyanophenyl)carbamate.
What is the SMILES notation for (1-aminocycloheptyl)methyl N-(4-cyanophenyl)carbamate?
The canonical SMILES for (1-aminocycloheptyl)methyl N-(4-cyanophenyl)carbamate is N#Cc1ccc(NC(=O)OCC2(N)CCCCCC2)cc1.
What is the InChIKey of (1-aminocycloheptyl)methyl N-(4-cyanophenyl)carbamate?
The InChIKey is PHIRLNWEXJBECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c17-11-13-5-7-14(8-6-13)19-15(20)21-12-16(18)9-3-1-2-4-10-16/h5-8H,1-4,9-10,12,18H2,(H,19,20).
What are the key properties of (1-aminocycloheptyl)methyl N-(4-cyanophenyl)carbamate?
(1-aminocycloheptyl)methyl N-(4-cyanophenyl)carbamate has a molecular weight of 287.36 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocycloheptyl)methyl N-(4-cyanophenyl)carbamate is sourced from PubChem (CID 79341766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).