N-(2-iodoethyl)-N,4,4-trimethylcyclohexan-1-amine

C11H22IN — CID 130667135

IUPACN-(2-iodoethyl)-N,4,4-trimethylcyclohexan-1-amine
SMILESCN(CCI)C1CCC(C)(C)CC1
InChIInChI=1S/C11H22IN/c1-11(2)6-4-10(5-7-11)13(3)9-8-12/h10H,4-9H2,1-3H3
InChIKeyNHNAIYFESQRSHV-UHFFFAOYSA-N
MW295.21 g/mol
LogP3.32
Rot. Bonds3

About N-(2-iodoethyl)-N,4,4-trimethylcyclohexan-1-amine

N-(2-iodoethyl)-N,4,4-trimethylcyclohexan-1-amine (PubChem CID 130667135) has the molecular formula C11H22IN and a molecular weight of 295.21 g/mol. Its IUPAC name is N-(2-iodoethyl)-N,4,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-iodoethyl)-N,4,4-trimethylcyclohexan-1-amine
PubChem CID130667135
Molecular FormulaC11H22IN
Molecular Weight295.21 g/mol
Exact Mass295.08
IUPAC NameN-(2-iodoethyl)-N,4,4-trimethylcyclohexan-1-amine
SMILESCN(CCI)C1CCC(C)(C)CC1
InChIInChI=1S/C11H22IN/c1-11(2)6-4-10(5-7-11)13(3)9-8-12/h10H,4-9H2,1-3H3
InChIKeyNHNAIYFESQRSHV-UHFFFAOYSA-N
XLogP3.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(9-bromononyl)-N,4,4-trimethylcyclohexan-1-amine
CID 105343835
3-[(4,4-dimethylcyclohexyl)-methylamino]propane-1-sulfonamide
CID 112698301
(2S)-1-[(4,4-dimethylcyclohexyl)-methylamino]propan-2-ol
CID 103935271
2-[[(4,4-dimethylcyclohexyl)-methylamino]methyl]-3,3,3-trifluoropropanethioamide
CID 103368788
N-(4,4-dimethylcyclohexyl)-N,N'-dimethyl-2-methylidenepropane-1,3-diamine
CID 103071030
4-[(4,4-dimethylcyclohexyl)-methylamino]-3-hydroxybutanoic acid
CID 82770933
N-[2-[2-[cyclopentyl(methyl)amino]ethoxy]ethyl]-N-methylcyclopentanamine
CID 178121516
2-[(3,3-dimethylcyclopentyl)-methylamino]acetamide
CID 131106276
4-[3,3-dimethylbutyl(methyl)amino]-1-(methylamino)cyclohexane-1-carbonitrile
CID 117039629
2-[cyclopropyl(methyl)amino]ethanol;hydrochloride
CID 69009010
N-ethyl-N,2,4,4-tetramethylcyclohexan-1-amine
CID 130735085
1-butoxy-3-[(4,4-dimethylcyclohexyl)-methylamino]propan-2-ol
CID 107263935

Frequently Asked Questions

What is the IUPAC name of N-(2-iodoethyl)-N,4,4-trimethylcyclohexan-1-amine?
The IUPAC name of N-(2-iodoethyl)-N,4,4-trimethylcyclohexan-1-amine (CID 130667135) is N-(2-iodoethyl)-N,4,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for N-(2-iodoethyl)-N,4,4-trimethylcyclohexan-1-amine?
The canonical SMILES for N-(2-iodoethyl)-N,4,4-trimethylcyclohexan-1-amine is CN(CCI)C1CCC(C)(C)CC1.
What is the InChIKey of N-(2-iodoethyl)-N,4,4-trimethylcyclohexan-1-amine?
The InChIKey is NHNAIYFESQRSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22IN/c1-11(2)6-4-10(5-7-11)13(3)9-8-12/h10H,4-9H2,1-3H3.
What are the key properties of N-(2-iodoethyl)-N,4,4-trimethylcyclohexan-1-amine?
N-(2-iodoethyl)-N,4,4-trimethylcyclohexan-1-amine has a molecular weight of 295.21 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodoethyl)-N,4,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 130667135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).