N-[(3-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide

C14H24N2O — CID 114146502

IUPACN-[(3-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide
SMILESNC1CCCC(CNC(=O)C2CC3CC3C2)C1
InChIInChI=1S/C14H24N2O/c15-13-3-1-2-9(4-13)8-16-14(17)12-6-10-5-11(10)7-12/h9-13H,1-8,15H2,(H,16,17)
InChIKeyYTAQMZXNAASULN-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.67
Rot. Bonds3

About N-[(3-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide

N-[(3-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 114146502) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[(3-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-[(3-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide
PubChem CID114146502
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-[(3-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide
SMILESNC1CCCC(CNC(=O)C2CC3CC3C2)C1
InChIInChI=1S/C14H24N2O/c15-13-3-1-2-9(4-13)8-16-14(17)12-6-10-5-11(10)7-12/h9-13H,1-8,15H2,(H,16,17)
InChIKeyYTAQMZXNAASULN-UHFFFAOYSA-N
XLogP1.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 106132587
N-[(3-aminocyclohexyl)methyl]oxane-4-carboxamide
CID 106123693
9-amino-N-(cyclopropylmethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120984863
N-[(3-aminocyclohexyl)methyl]adamantane-2-carboxamide
CID 106123817
3-amino-N-[(3-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide
CID 104530465
9-amino-N-[(3-methylcyclohexyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120987251
N-[(3-aminocyclopentyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 106121226
N-[(3-aminocyclohexyl)methyl]-5-methyloxolane-3-carboxamide
CID 114146486
1-[(3-aminocyclohexyl)methyl]-3-cyclobutylurea
CID 106125254
3-amino-N-[(3-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
CID 66005543
N-[(3-aminocyclobutyl)methyl]cyclopropanecarboxamide
CID 66004927
N-[(3-aminocyclohexyl)methyl]azepane-1-carboxamide
CID 106125214

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-[(3-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide (CID 114146502) is N-[(3-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-[(3-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-[(3-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide is NC1CCCC(CNC(=O)C2CC3CC3C2)C1.
What is the InChIKey of N-[(3-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is YTAQMZXNAASULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c15-13-3-1-2-9(4-13)8-16-14(17)12-6-10-5-11(10)7-12/h9-13H,1-8,15H2,(H,16,17).
What are the key properties of N-[(3-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide?
N-[(3-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 236.36 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 114146502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).