N-[[1-(bromomethyl)cyclohexyl]methyl]hexanamide

C14H26BrNO — CID 103969906

IUPACN-[[1-(bromomethyl)cyclohexyl]methyl]hexanamide
SMILESCCCCCC(=O)NCC1(CBr)CCCCC1
InChIInChI=1S/C14H26BrNO/c1-2-3-5-8-13(17)16-12-14(11-15)9-6-4-7-10-14/h2-12H2,1H3,(H,16,17)
InChIKeyPDQFLGGZPOIPTI-UHFFFAOYSA-N
MW304.27 g/mol
LogP4.03
Rot. Bonds7

About N-[[1-(bromomethyl)cyclohexyl]methyl]hexanamide

N-[[1-(bromomethyl)cyclohexyl]methyl]hexanamide (PubChem CID 103969906) has the molecular formula C14H26BrNO and a molecular weight of 304.27 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclohexyl]methyl]hexanamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclohexyl]methyl]hexanamide
PubChem CID103969906
Molecular FormulaC14H26BrNO
Molecular Weight304.27 g/mol
Exact Mass303.12
IUPAC NameN-[[1-(bromomethyl)cyclohexyl]methyl]hexanamide
SMILESCCCCCC(=O)NCC1(CBr)CCCCC1
InChIInChI=1S/C14H26BrNO/c1-2-3-5-8-13(17)16-12-14(11-15)9-6-4-7-10-14/h2-12H2,1H3,(H,16,17)
InChIKeyPDQFLGGZPOIPTI-UHFFFAOYSA-N
XLogP4.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(bromomethyl)cyclopropyl]methyl]dodecanamide
CID 115456236
N-[[1-(chloromethyl)cyclohexyl]methyl]decanamide
CID 103969577
N-[[1-(bromomethyl)cyclohexyl]methyl]propanamide
CID 103969670
N-[[1-(chloromethyl)cyclopentyl]methyl]octanamide
CID 115363870
N-[[1-(aminomethyl)cyclopentyl]methyl]heptanamide
CID 114754126
2-[1-[(heptanoylamino)methyl]cyclobutyl]acetic acid
CID 81165521
N-[(1-ethylcyclohexyl)methyl]acetamide;N-[(1-ethylcyclohexyl)methyl]dodecanamide;N-[(1-ethylcyclohexyl)methyl]heptanamide;N-[(1-ethylcyclohexyl)methyl]hexanamide;N-[(1-ethylcyclohexyl)methyl]undecanamide;N-[[1-(2-oxopropyl)cyclohexyl]methyl]decanamide;N-[[1-(2-oxopropyl)cyclohexyl]methyl]nonanamide;N-[[1-(2-oxopropyl)cyclohexyl]methyl]octanamide
CID 161460753
N-[[1-(bromomethyl)cyclohexyl]methyl]-2-methylsulfanylacetamide
CID 103969662
N-[1-(bromomethyl)cyclopentyl]hexanamide
CID 114311357
N-[(1-hydroxycyclobutyl)methyl]nonanamide
CID 115668880
6-[(1-ethylcyclopentyl)methylamino]-6-oxohexanoic acid
CID 114124800
N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 110292524

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]hexanamide?
The IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]hexanamide (CID 103969906) is N-[[1-(bromomethyl)cyclohexyl]methyl]hexanamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclohexyl]methyl]hexanamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclohexyl]methyl]hexanamide is CCCCCC(=O)NCC1(CBr)CCCCC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclohexyl]methyl]hexanamide?
The InChIKey is PDQFLGGZPOIPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrNO/c1-2-3-5-8-13(17)16-12-14(11-15)9-6-4-7-10-14/h2-12H2,1H3,(H,16,17).
What are the key properties of N-[[1-(bromomethyl)cyclohexyl]methyl]hexanamide?
N-[[1-(bromomethyl)cyclohexyl]methyl]hexanamide has a molecular weight of 304.27 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclohexyl]methyl]hexanamide is sourced from PubChem (CID 103969906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).