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

C14H22BrNO — CID 106132587

IUPACN-[(3-bromocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(NCC1CCCC(Br)C1)C1CC2CC2C1
InChIInChI=1S/C14H22BrNO/c15-13-3-1-2-9(4-13)8-16-14(17)12-6-10-5-11(10)7-12/h9-13H,1-8H2,(H,16,17)
InChIKeyNUQMXDSACOQCKX-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.10
Rot. Bonds3

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

N-[(3-bromocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 106132587) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is N-[(3-bromocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-[(3-bromocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide
PubChem CID106132587
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC NameN-[(3-bromocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(NCC1CCCC(Br)C1)C1CC2CC2C1
InChIInChI=1S/C14H22BrNO/c15-13-3-1-2-9(4-13)8-16-14(17)12-6-10-5-11(10)7-12/h9-13H,1-8H2,(H,16,17)
InChIKeyNUQMXDSACOQCKX-UHFFFAOYSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(3-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 114146502
N-[(3-bromocyclohexyl)methyl]thiolane-3-carboxamide
CID 106132659
N-[(3-bromocyclobutyl)methyl]cyclobutanecarboxamide
CID 165454239
N-[(3-bromocyclopentyl)methyl]cycloheptanecarboxamide
CID 106128574
N-[(3-bromocyclopentyl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106127906
N-(cyclobutylmethyl)cyclopropanecarboxamide
CID 60757387
9-amino-N-(cyclopropylmethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120984863
N-[(3-bromocyclohexyl)methyl]-3,3-dimethylbutanamide
CID 106132571
9-amino-N-[(3-methylcyclohexyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120987251
N-[(3-chlorocyclohexyl)methyl]cyclobutanecarboxamide
CID 106132228
tert-butyl N-[(3-bromocyclohexyl)methyl]carbamate
CID 104701959
N-(3-cyclopentylpropyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 106015861

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-[(3-bromocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide (CID 106132587) is N-[(3-bromocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-[(3-bromocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-[(3-bromocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide is O=C(NCC1CCCC(Br)C1)C1CC2CC2C1.
What is the InChIKey of N-[(3-bromocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is NUQMXDSACOQCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c15-13-3-1-2-9(4-13)8-16-14(17)12-6-10-5-11(10)7-12/h9-13H,1-8H2,(H,16,17).
What are the key properties of N-[(3-bromocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide?
N-[(3-bromocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 300.24 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 106132587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).