1-iodo-3-methyl-N-prop-2-enylbutan-2-amine

C8H16IN — CID 107859441

IUPAC1-iodo-3-methyl-N-prop-2-enylbutan-2-amine
SMILESC=CCNC(CI)C(C)C
InChIInChI=1S/C8H16IN/c1-4-5-10-8(6-9)7(2)3/h4,7-8,10H,1,5-6H2,2-3H3
InChIKeyHPXHADWDWJYYRR-UHFFFAOYSA-N
MW253.13 g/mol
LogP2.22
Rot. Bonds5

About 1-iodo-3-methyl-N-prop-2-enylbutan-2-amine

1-iodo-3-methyl-N-prop-2-enylbutan-2-amine (PubChem CID 107859441) has the molecular formula C8H16IN and a molecular weight of 253.13 g/mol. Its IUPAC name is 1-iodo-3-methyl-N-prop-2-enylbutan-2-amine.

Molecular Properties

Compound Name1-iodo-3-methyl-N-prop-2-enylbutan-2-amine
PubChem CID107859441
Molecular FormulaC8H16IN
Molecular Weight253.13 g/mol
Exact Mass253.03
IUPAC Name1-iodo-3-methyl-N-prop-2-enylbutan-2-amine
SMILESC=CCNC(CI)C(C)C
InChIInChI=1S/C8H16IN/c1-4-5-10-8(6-9)7(2)3/h4,7-8,10H,1,5-6H2,2-3H3
InChIKeyHPXHADWDWJYYRR-UHFFFAOYSA-N
XLogP2.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Butanaine, 3-methyl, N-(2-propenyl)
CID 527110
2,3-dimethyl-N-prop-2-enylbutan-2-amine
CID 11309849
N-ethyl-4-methylpent-1-en-3-amine
CID 17800489
4-methyl-N-(4-methylpent-1-en-3-yl)pent-1-en-3-amine
CID 23177078
N-(1,2-dimethylpropyl)prop-2-en-1-amine
CID 43177068
4-methyl-N-prop-2-enylpentan-2-amine
CID 43189556
4-methyl-N-propan-2-ylpent-1-en-3-amine
CID 55287465
N-but-3-enyl-3-methylbutan-2-amine
CID 57591296
(3S)-4-methyl-N-prop-2-enylpent-1-en-3-amine
CID 57918630
3-methyl-N-(2-methylprop-2-enyl)butan-2-amine
CID 60690245
2-methyl-N-prop-2-enylbutan-2-amine
CID 60720466
3,3-dimethyl-N-prop-2-enylbutan-2-amine
CID 83814316

Frequently Asked Questions

What is the IUPAC name of 1-iodo-3-methyl-N-prop-2-enylbutan-2-amine?
The IUPAC name of 1-iodo-3-methyl-N-prop-2-enylbutan-2-amine (CID 107859441) is 1-iodo-3-methyl-N-prop-2-enylbutan-2-amine.
What is the SMILES notation for 1-iodo-3-methyl-N-prop-2-enylbutan-2-amine?
The canonical SMILES for 1-iodo-3-methyl-N-prop-2-enylbutan-2-amine is C=CCNC(CI)C(C)C.
What is the InChIKey of 1-iodo-3-methyl-N-prop-2-enylbutan-2-amine?
The InChIKey is HPXHADWDWJYYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16IN/c1-4-5-10-8(6-9)7(2)3/h4,7-8,10H,1,5-6H2,2-3H3.
What are the key properties of 1-iodo-3-methyl-N-prop-2-enylbutan-2-amine?
1-iodo-3-methyl-N-prop-2-enylbutan-2-amine has a molecular weight of 253.13 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-3-methyl-N-prop-2-enylbutan-2-amine is sourced from PubChem (CID 107859441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).