2-(1-iodoethyl)pentan-1-amine

C7H16IN — CID 86037084

IUPAC2-(1-iodoethyl)pentan-1-amine
SMILESCCCC(CN)C(C)I
InChIInChI=1S/C7H16IN/c1-3-4-7(5-9)6(2)8/h6-7H,3-5,9H2,1-2H3
InChIKeyKPBYEQDNDWZDSH-UHFFFAOYSA-N
MW241.12 g/mol
LogP2.18
Rot. Bonds4

About 2-(1-iodoethyl)pentan-1-amine

2-(1-iodoethyl)pentan-1-amine (PubChem CID 86037084) has the molecular formula C7H16IN and a molecular weight of 241.12 g/mol. Its IUPAC name is 2-(1-iodoethyl)pentan-1-amine.

Molecular Properties

Compound Name2-(1-iodoethyl)pentan-1-amine
PubChem CID86037084
Molecular FormulaC7H16IN
Molecular Weight241.12 g/mol
Exact Mass241.03
IUPAC Name2-(1-iodoethyl)pentan-1-amine
SMILESCCCC(CN)C(C)I
InChIInChI=1S/C7H16IN/c1-3-4-7(5-9)6(2)8/h6-7H,3-5,9H2,1-2H3
InChIKeyKPBYEQDNDWZDSH-UHFFFAOYSA-N
XLogP2.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.12
LogP ≤ 52.18
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'}

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Related Compounds

3-Methyl-1-hexanamine
CID 103411
5-Methylhexan-1-amine
CID 15267850
4-Ethylhexan-1-amine
CID 20328494
3-Methylhexan-1-amine hydrochloride
CID 126811941
2-Methylhexan-1-amine
CID 22538
4-Methylhexan-1-amine
CID 21254367
(2S)-2-ethyl-4-methylpentan-1-amine
CID 55290279
2-Fluoro-6-iodo-3-methylhexan-1-amine
CID 174193285
Methylhexanamine-d4
CID 132279031
(3R)-3-methylhexan-1-amine
CID 7811366
(3S)-3-methylhexan-1-amine
CID 7811974
2-Ethylpentan-1-amine
CID 15177837

Frequently Asked Questions

What is the IUPAC name of 2-(1-iodoethyl)pentan-1-amine?
The IUPAC name of 2-(1-iodoethyl)pentan-1-amine (CID 86037084) is 2-(1-iodoethyl)pentan-1-amine.
What is the SMILES notation for 2-(1-iodoethyl)pentan-1-amine?
The canonical SMILES for 2-(1-iodoethyl)pentan-1-amine is CCCC(CN)C(C)I.
What is the InChIKey of 2-(1-iodoethyl)pentan-1-amine?
The InChIKey is KPBYEQDNDWZDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16IN/c1-3-4-7(5-9)6(2)8/h6-7H,3-5,9H2,1-2H3.
What are the key properties of 2-(1-iodoethyl)pentan-1-amine?
2-(1-iodoethyl)pentan-1-amine has a molecular weight of 241.12 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-iodoethyl)pentan-1-amine is sourced from PubChem (CID 86037084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).