N-(9-bromononyl)-N,4,4-trimethylcyclohexan-1-amine

C18H36BrN — CID 105343835

IUPACN-(9-bromononyl)-N,4,4-trimethylcyclohexan-1-amine
SMILESCN(CCCCCCCCCBr)C1CCC(C)(C)CC1
InChIInChI=1S/C18H36BrN/c1-18(2)13-11-17(12-14-18)20(3)16-10-8-6-4-5-7-9-15-19/h17H,4-16H2,1-3H3
InChIKeyACSCBDQIIQZUQY-UHFFFAOYSA-N
MW346.40 g/mol
LogP6.01
Rot. Bonds10

About N-(9-bromononyl)-N,4,4-trimethylcyclohexan-1-amine

N-(9-bromononyl)-N,4,4-trimethylcyclohexan-1-amine (PubChem CID 105343835) has the molecular formula C18H36BrN and a molecular weight of 346.40 g/mol. Its IUPAC name is N-(9-bromononyl)-N,4,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(9-bromononyl)-N,4,4-trimethylcyclohexan-1-amine
PubChem CID105343835
Molecular FormulaC18H36BrN
Molecular Weight346.40 g/mol
Exact Mass345.20
IUPAC NameN-(9-bromononyl)-N,4,4-trimethylcyclohexan-1-amine
SMILESCN(CCCCCCCCCBr)C1CCC(C)(C)CC1
InChIInChI=1S/C18H36BrN/c1-18(2)13-11-17(12-14-18)20(3)16-10-8-6-4-5-7-9-15-19/h17H,4-16H2,1-3H3
InChIKeyACSCBDQIIQZUQY-UHFFFAOYSA-N
XLogP6.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.40
LogP ≤ 56.01
H-Bond Donors ≤ 50
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-(5-bromopentyl)-N-methylcyclohexanamine
CID 14089133
N-(2-iodoethyl)-N,4,4-trimethylcyclohexan-1-amine
CID 130667135
N-(9-bromononyl)-N,3-dimethylcyclohexan-1-amine
CID 105343672
N-(9-bromononyl)-N-methyloxolan-3-amine
CID 105343849
3-[(4,4-dimethylcyclohexyl)-methylamino]propane-1-sulfonamide
CID 112698301
N-hexyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 79120485
6-[cyclopropyl(methyl)amino]hexan-1-ol
CID 103737798
N'-cyclopropyl-N'-methylhexane-1,6-diamine
CID 43265095
N-methyl-N-pentylcyclobutanamine
CID 142562644
5-[cyclopentyl(methyl)amino]pentan-1-ol
CID 62227665
(2S)-1-[(4,4-dimethylcyclohexyl)-methylamino]propan-2-ol
CID 103935271
1-(aminomethyl)-4-[methyl(pentyl)amino]cyclohexan-1-ol
CID 117039414

Frequently Asked Questions

What is the IUPAC name of N-(9-bromononyl)-N,4,4-trimethylcyclohexan-1-amine?
The IUPAC name of N-(9-bromononyl)-N,4,4-trimethylcyclohexan-1-amine (CID 105343835) is N-(9-bromononyl)-N,4,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for N-(9-bromononyl)-N,4,4-trimethylcyclohexan-1-amine?
The canonical SMILES for N-(9-bromononyl)-N,4,4-trimethylcyclohexan-1-amine is CN(CCCCCCCCCBr)C1CCC(C)(C)CC1.
What is the InChIKey of N-(9-bromononyl)-N,4,4-trimethylcyclohexan-1-amine?
The InChIKey is ACSCBDQIIQZUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36BrN/c1-18(2)13-11-17(12-14-18)20(3)16-10-8-6-4-5-7-9-15-19/h17H,4-16H2,1-3H3.
What are the key properties of N-(9-bromononyl)-N,4,4-trimethylcyclohexan-1-amine?
N-(9-bromononyl)-N,4,4-trimethylcyclohexan-1-amine has a molecular weight of 346.40 g/mol, XLogP of 6.01, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-bromononyl)-N,4,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 105343835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).