N-[(4-bromocyclohexyl)methyl]-4-methylpentanamide

C13H24BrNO — CID 106134835

IUPACN-[(4-bromocyclohexyl)methyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NCC1CCC(Br)CC1
InChIInChI=1S/C13H24BrNO/c1-10(2)3-8-13(16)15-9-11-4-6-12(14)7-5-11/h10-12H,3-9H2,1-2H3,(H,15,16)
InChIKeyFAUHFIYEKXPVNO-UHFFFAOYSA-N
MW290.24 g/mol
LogP3.49
Rot. Bonds5

About N-[(4-bromocyclohexyl)methyl]-4-methylpentanamide

N-[(4-bromocyclohexyl)methyl]-4-methylpentanamide (PubChem CID 106134835) has the molecular formula C13H24BrNO and a molecular weight of 290.24 g/mol. Its IUPAC name is N-[(4-bromocyclohexyl)methyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[(4-bromocyclohexyl)methyl]-4-methylpentanamide
PubChem CID106134835
Molecular FormulaC13H24BrNO
Molecular Weight290.24 g/mol
Exact Mass289.10
IUPAC NameN-[(4-bromocyclohexyl)methyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NCC1CCC(Br)CC1
InChIInChI=1S/C13H24BrNO/c1-10(2)3-8-13(16)15-9-11-4-6-12(14)7-5-11/h10-12H,3-9H2,1-2H3,(H,15,16)
InChIKeyFAUHFIYEKXPVNO-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 53.49
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-bromocyclopentyl)methyl]-4-methylpentanamide
CID 106128914
N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylpentanamide
CID 114231575
4-methyl-N-(piperidin-4-ylmethyl)pentanamide
CID 28779882
N-[(4-chlorocyclohexyl)methyl]-3-methylbutanamide
CID 106133604
N-[(4-aminocyclohexyl)methyl]-4-methoxypentanamide
CID 106124719
4-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide;hydrochloride
CID 120561038
N-[(4-bromocyclohexyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 106134334
N-(cyclopropylmethyl)-2-(2-methylpropylamino)acetamide
CID 28566205
N-[(3-hydroxycyclopentyl)methyl]-4-methoxypentanamide
CID 103280773
N-[(4-bromocyclohexyl)methyl]-2-(thian-4-yl)acetamide
CID 106134576
4-(2-aminoethyl)-N-[(4-hydroxycyclohexyl)methyl]-5,5-dimethylhexanamide
CID 106135446
4-methyl-N-[[(1R,5S)-8-(5-methylhexanoyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pentanamide
CID 166370520

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromocyclohexyl)methyl]-4-methylpentanamide?
The IUPAC name of N-[(4-bromocyclohexyl)methyl]-4-methylpentanamide (CID 106134835) is N-[(4-bromocyclohexyl)methyl]-4-methylpentanamide.
What is the SMILES notation for N-[(4-bromocyclohexyl)methyl]-4-methylpentanamide?
The canonical SMILES for N-[(4-bromocyclohexyl)methyl]-4-methylpentanamide is CC(C)CCC(=O)NCC1CCC(Br)CC1.
What is the InChIKey of N-[(4-bromocyclohexyl)methyl]-4-methylpentanamide?
The InChIKey is FAUHFIYEKXPVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO/c1-10(2)3-8-13(16)15-9-11-4-6-12(14)7-5-11/h10-12H,3-9H2,1-2H3,(H,15,16).
What are the key properties of N-[(4-bromocyclohexyl)methyl]-4-methylpentanamide?
N-[(4-bromocyclohexyl)methyl]-4-methylpentanamide has a molecular weight of 290.24 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromocyclohexyl)methyl]-4-methylpentanamide is sourced from PubChem (CID 106134835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).