N-(2-bromocyclohexyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide

C18H30BrNO — CID 102638431

IUPACN-(2-bromocyclohexyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
SMILESCN(C(=O)C1CCC2CCCCC2C1)C1CCCCC1Br
InChIInChI=1S/C18H30BrNO/c1-20(17-9-5-4-8-16(17)19)18(21)15-11-10-13-6-2-3-7-14(13)12-15/h13-17H,2-12H2,1H3
InChIKeyPFJMEBYTJWJMDM-UHFFFAOYSA-N
MW356.35 g/mol
LogP4.76
Rot. Bonds2

About N-(2-bromocyclohexyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide

N-(2-bromocyclohexyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide (PubChem CID 102638431) has the molecular formula C18H30BrNO and a molecular weight of 356.35 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
PubChem CID102638431
Molecular FormulaC18H30BrNO
Molecular Weight356.35 g/mol
Exact Mass355.15
IUPAC NameN-(2-bromocyclohexyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
SMILESCN(C(=O)C1CCC2CCCCC2C1)C1CCCCC1Br
InChIInChI=1S/C18H30BrNO/c1-20(17-9-5-4-8-16(17)19)18(21)15-11-10-13-6-2-3-7-14(13)12-15/h13-17H,2-12H2,1H3
InChIKeyPFJMEBYTJWJMDM-UHFFFAOYSA-N
XLogP4.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 102638316
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CID 102560704
4-cyclohexyl-N-hydroxy-N-methylcyclohexane-1-carboxamide
CID 19835291
N-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 112548115
N-(2-bromocyclohexyl)-N-methylbutanamide
CID 102638315
3-amino-N-methyl-N-(2-methylcyclohexyl)cyclopentane-1-carboxamide
CID 66008967
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylic acid;acetic acid
CID 175499528
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-1-one
CID 114962133
N-(5-aminopentyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 107206590
N-(2-bromocyclohexyl)-N,3,3-trimethylbutanamide
CID 102638498
(3R,4aR,9aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene-3-carboxylic acid
CID 131049059
N-methyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The IUPAC name of N-(2-bromocyclohexyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide (CID 102638431) is N-(2-bromocyclohexyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(2-bromocyclohexyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(2-bromocyclohexyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide is CN(C(=O)C1CCC2CCCCC2C1)C1CCCCC1Br.
What is the InChIKey of N-(2-bromocyclohexyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The InChIKey is PFJMEBYTJWJMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30BrNO/c1-20(17-9-5-4-8-16(17)19)18(21)15-11-10-13-6-2-3-7-14(13)12-15/h13-17H,2-12H2,1H3.
What are the key properties of N-(2-bromocyclohexyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
N-(2-bromocyclohexyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide has a molecular weight of 356.35 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide is sourced from PubChem (CID 102638431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).