4-(1-iodopropyl)-N,N-dimethylcyclohexan-1-amine

C11H22IN — CID 142071347

IUPAC4-(1-iodopropyl)-N,N-dimethylcyclohexan-1-amine
SMILESCCC(I)C1CCC(N(C)C)CC1
InChIInChI=1S/C11H22IN/c1-4-11(12)9-5-7-10(8-6-9)13(2)3/h9-11H,4-8H2,1-3H3
InChIKeyFGCHRXRSEUKFEX-UHFFFAOYSA-N
MW295.21 g/mol
LogP3.32
Rot. Bonds3

About 4-(1-iodopropyl)-N,N-dimethylcyclohexan-1-amine

4-(1-iodopropyl)-N,N-dimethylcyclohexan-1-amine (PubChem CID 142071347) has the molecular formula C11H22IN and a molecular weight of 295.21 g/mol. Its IUPAC name is 4-(1-iodopropyl)-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(1-iodopropyl)-N,N-dimethylcyclohexan-1-amine
PubChem CID142071347
Molecular FormulaC11H22IN
Molecular Weight295.21 g/mol
Exact Mass295.08
IUPAC Name4-(1-iodopropyl)-N,N-dimethylcyclohexan-1-amine
SMILESCCC(I)C1CCC(N(C)C)CC1
InChIInChI=1S/C11H22IN/c1-4-11(12)9-5-7-10(8-6-9)13(2)3/h9-11H,4-8H2,1-3H3
InChIKeyFGCHRXRSEUKFEX-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

1-[4-(dimethylamino)cyclohexyl]propan-1-ol
CID 123513782
N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine;ethane
CID 169113778
(1S)-1-cyclopropyl-N-methyl-N-propan-2-ylpropan-1-amine
CID 166781329
2-methylbutane;N,N,1-trimethylpiperidin-4-amine
CID 142525400
4-[1-(dimethylamino)propyl]-N-methylcyclohexan-1-amine
CID 116907222
N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine;4-propan-2-yloxane
CID 158111671
1-butan-2-yl-N,N-dimethylpiperidin-4-amine
CID 90697678
(3R)-3-(1-iodopropyl)-1,6-dimethylazepane
CID 175613384
1-[2-(bromomethyl)butyl]-N,N-dimethylpiperidin-4-amine
CID 65000171
3-N-(1-cyclopropylpropyl)-1-N,1-N-dimethylcyclohexane-1,3-diamine
CID 115726743
methane;N,N,4-trimethylcyclohexan-1-amine
CID 159051583
1-cyclopropyl-2-[4-(dimethylamino)piperidin-1-yl]ethanol
CID 63908245

Frequently Asked Questions

What is the IUPAC name of 4-(1-iodopropyl)-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 4-(1-iodopropyl)-N,N-dimethylcyclohexan-1-amine (CID 142071347) is 4-(1-iodopropyl)-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 4-(1-iodopropyl)-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 4-(1-iodopropyl)-N,N-dimethylcyclohexan-1-amine is CCC(I)C1CCC(N(C)C)CC1.
What is the InChIKey of 4-(1-iodopropyl)-N,N-dimethylcyclohexan-1-amine?
The InChIKey is FGCHRXRSEUKFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22IN/c1-4-11(12)9-5-7-10(8-6-9)13(2)3/h9-11H,4-8H2,1-3H3.
What are the key properties of 4-(1-iodopropyl)-N,N-dimethylcyclohexan-1-amine?
4-(1-iodopropyl)-N,N-dimethylcyclohexan-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 4-(1-iodopropyl)-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 142071347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).