2-[[2-amino-1-ethyl-2-(iodomethyl)cyclohexyl]methyl]-2-ethyl-1-(iodomethyl)cyclohexan-1-amine

C19H36I2N2 — CID 68739117

IUPAC2-[[2-amino-1-ethyl-2-(iodomethyl)cyclohexyl]methyl]-2-ethyl-1-(iodomethyl)cyclohexan-1-amine
SMILESCCC1(CC2(CC)CCCCC2(N)CI)CCCCC1(N)CI
InChIInChI=1S/C19H36I2N2/c1-3-16(9-5-7-11-18(16,22)14-20)13-17(4-2)10-6-8-12-19(17,23)15-21/h3-15,22-23H2,1-2H3
InChIKeyHKAHAKYBUWCCQX-UHFFFAOYSA-N
MW546.32 g/mol
LogP5.58
Rot. Bonds6

About 2-[[2-amino-1-ethyl-2-(iodomethyl)cyclohexyl]methyl]-2-ethyl-1-(iodomethyl)cyclohexan-1-amine

2-[[2-amino-1-ethyl-2-(iodomethyl)cyclohexyl]methyl]-2-ethyl-1-(iodomethyl)cyclohexan-1-amine (PubChem CID 68739117) has the molecular formula C19H36I2N2 and a molecular weight of 546.32 g/mol. Its IUPAC name is 2-[[2-amino-1-ethyl-2-(iodomethyl)cyclohexyl]methyl]-2-ethyl-1-(iodomethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-[[2-amino-1-ethyl-2-(iodomethyl)cyclohexyl]methyl]-2-ethyl-1-(iodomethyl)cyclohexan-1-amine
PubChem CID68739117
Molecular FormulaC19H36I2N2
Molecular Weight546.32 g/mol
Exact Mass546.10
IUPAC Name2-[[2-amino-1-ethyl-2-(iodomethyl)cyclohexyl]methyl]-2-ethyl-1-(iodomethyl)cyclohexan-1-amine
SMILESCCC1(CC2(CC)CCCCC2(N)CI)CCCCC1(N)CI
InChIInChI=1S/C19H36I2N2/c1-3-16(9-5-7-11-18(16,22)14-20)13-17(4-2)10-6-8-12-19(17,23)15-21/h3-15,22-23H2,1-2H3
InChIKeyHKAHAKYBUWCCQX-UHFFFAOYSA-N
XLogP5.58
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.32
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[(2-amino-1,2-diethylcyclohexyl)methyl]-1,2-diethylcyclohexan-1-amine
CID 68739353
1-[(1-amino-2-ethyl-2-propylcyclohexyl)methyl]-2-ethyl-2-propylcyclohexan-1-amine
CID 68738336
2-[(2-amino-1,2-dipropylcyclohexyl)methyl]-1,2-dipropylcyclohexan-1-amine
CID 68741612
(2,2-diethyl-1-phosphanylcyclohexyl)phosphane
CID 174700066
2,2-dipropylcyclohexane-1,1-diamine
CID 175187242
[1-(aminomethyl)-2,2-diiodocyclohexyl]methanamine
CID 19897960
1-ethyl-1-[(1-ethylcyclopentyl)disulfanyl]cyclopentane
CID 87155135
1-(aminomethyl)-2,2-diiodocyclopentan-1-amine
CID 88689644
N-chloro-1-ethylcycloheptan-1-amine
CID 142970343
1,2,2-triethylcyclohexane-1-carboxylic acid
CID 118982103
2,2-dimethyl-1-(2-methylpentyl)cyclohexan-1-amine
CID 79835898
(1-ethylcyclopentyl) 2-methylbutanoate;2,2,2-trifluoroethyl 2-methylbutanoate
CID 163540697

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-1-ethyl-2-(iodomethyl)cyclohexyl]methyl]-2-ethyl-1-(iodomethyl)cyclohexan-1-amine?
The IUPAC name of 2-[[2-amino-1-ethyl-2-(iodomethyl)cyclohexyl]methyl]-2-ethyl-1-(iodomethyl)cyclohexan-1-amine (CID 68739117) is 2-[[2-amino-1-ethyl-2-(iodomethyl)cyclohexyl]methyl]-2-ethyl-1-(iodomethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-[[2-amino-1-ethyl-2-(iodomethyl)cyclohexyl]methyl]-2-ethyl-1-(iodomethyl)cyclohexan-1-amine?
The canonical SMILES for 2-[[2-amino-1-ethyl-2-(iodomethyl)cyclohexyl]methyl]-2-ethyl-1-(iodomethyl)cyclohexan-1-amine is CCC1(CC2(CC)CCCCC2(N)CI)CCCCC1(N)CI.
What is the InChIKey of 2-[[2-amino-1-ethyl-2-(iodomethyl)cyclohexyl]methyl]-2-ethyl-1-(iodomethyl)cyclohexan-1-amine?
The InChIKey is HKAHAKYBUWCCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36I2N2/c1-3-16(9-5-7-11-18(16,22)14-20)13-17(4-2)10-6-8-12-19(17,23)15-21/h3-15,22-23H2,1-2H3.
What are the key properties of 2-[[2-amino-1-ethyl-2-(iodomethyl)cyclohexyl]methyl]-2-ethyl-1-(iodomethyl)cyclohexan-1-amine?
2-[[2-amino-1-ethyl-2-(iodomethyl)cyclohexyl]methyl]-2-ethyl-1-(iodomethyl)cyclohexan-1-amine has a molecular weight of 546.32 g/mol, XLogP of 5.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-1-ethyl-2-(iodomethyl)cyclohexyl]methyl]-2-ethyl-1-(iodomethyl)cyclohexan-1-amine is sourced from PubChem (CID 68739117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).