N-ethyl-N-propan-2-ylcyclohexanamine;iodomethane

C12H26IN — CID 143070375

IUPACN-ethyl-N-propan-2-ylcyclohexanamine;iodomethane
SMILESCCN(C(C)C)C1CCCCC1.CI
InChIInChI=1S/C11H23N.CH3I/c1-4-12(10(2)3)11-8-6-5-7-9-11;1-2/h10-11H,4-9H2,1-3H3;1H3
InChIKeyINUREUULMNIWDJ-UHFFFAOYSA-N
MW311.25 g/mol
LogP4.10
Rot. Bonds3

About N-ethyl-N-propan-2-ylcyclohexanamine;iodomethane

N-ethyl-N-propan-2-ylcyclohexanamine;iodomethane (PubChem CID 143070375) has the molecular formula C12H26IN and a molecular weight of 311.25 g/mol. Its IUPAC name is N-ethyl-N-propan-2-ylcyclohexanamine;iodomethane.

Molecular Properties

Compound NameN-ethyl-N-propan-2-ylcyclohexanamine;iodomethane
PubChem CID143070375
Molecular FormulaC12H26IN
Molecular Weight311.25 g/mol
Exact Mass311.11
IUPAC NameN-ethyl-N-propan-2-ylcyclohexanamine;iodomethane
SMILESCCN(C(C)C)C1CCCCC1.CI
InChIInChI=1S/C11H23N.CH3I/c1-4-12(10(2)3)11-8-6-5-7-9-11;1-2/h10-11H,4-9H2,1-3H3;1H3
InChIKeyINUREUULMNIWDJ-UHFFFAOYSA-N
XLogP4.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 54.10
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

2-N-cyclohexyl-2-N-ethylpropane-1,2-diamine
CID 16784373
N'-cyclohexyl-N'-propan-2-ylmethanediamine
CID 54225013
N-propan-2-yl-N-propylcyclopentanamine
CID 54134740
N-ethyl-N,3-di(propan-2-yl)cyclohexan-1-amine
CID 177048522
N-ethyl-N-propan-2-ylthian-3-amine
CID 127009584
5-[1-[cyclohexyl(ethyl)amino]ethyl]benzene-1,3-diol
CID 107707910
2-[cyclopentyl(propan-2-yl)amino]ethanol
CID 62020033
2-[ethyl(propan-2-yl)amino]cyclododecan-1-ol
CID 63470374
2-N-cyclopentyl-1-N,2-N-diethylpropane-1,2-diamine
CID 62421955
ethane;N-ethyl-3-methylidene-N-propan-2-ylcyclohexan-1-amine
CID 177204189
N-ethyl-N-propan-2-ylazetidin-3-amine
CID 21024113
N-[2-[2-[cyclopentyl(propan-2-yl)amino]ethylsulfonyl]ethyl]-N-propan-2-ylcyclopentanamine
CID 56570213

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-propan-2-ylcyclohexanamine;iodomethane?
The IUPAC name of N-ethyl-N-propan-2-ylcyclohexanamine;iodomethane (CID 143070375) is N-ethyl-N-propan-2-ylcyclohexanamine;iodomethane.
What is the SMILES notation for N-ethyl-N-propan-2-ylcyclohexanamine;iodomethane?
The canonical SMILES for N-ethyl-N-propan-2-ylcyclohexanamine;iodomethane is CCN(C(C)C)C1CCCCC1.CI.
What is the InChIKey of N-ethyl-N-propan-2-ylcyclohexanamine;iodomethane?
The InChIKey is INUREUULMNIWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.CH3I/c1-4-12(10(2)3)11-8-6-5-7-9-11;1-2/h10-11H,4-9H2,1-3H3;1H3.
What are the key properties of N-ethyl-N-propan-2-ylcyclohexanamine;iodomethane?
N-ethyl-N-propan-2-ylcyclohexanamine;iodomethane has a molecular weight of 311.25 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propan-2-ylcyclohexanamine;iodomethane is sourced from PubChem (CID 143070375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).