2-(2-iodopropyl)pentane-1,3-diamine

C8H19IN2 — CID 139572582

IUPAC2-(2-iodopropyl)pentane-1,3-diamine
SMILESCCC(N)C(CN)CC(C)I
InChIInChI=1S/C8H19IN2/c1-3-8(11)7(5-10)4-6(2)9/h6-8H,3-5,10-11H2,1-2H3
InChIKeyXUVPYWBYHUGGOB-UHFFFAOYSA-N
MW270.16 g/mol
LogP1.51
Rot. Bonds5

About 2-(2-iodopropyl)pentane-1,3-diamine

2-(2-iodopropyl)pentane-1,3-diamine (PubChem CID 139572582) has the molecular formula C8H19IN2 and a molecular weight of 270.16 g/mol. Its IUPAC name is 2-(2-iodopropyl)pentane-1,3-diamine.

Molecular Properties

Compound Name2-(2-iodopropyl)pentane-1,3-diamine
PubChem CID139572582
Molecular FormulaC8H19IN2
Molecular Weight270.16 g/mol
Exact Mass270.06
IUPAC Name2-(2-iodopropyl)pentane-1,3-diamine
SMILESCCC(N)C(CN)CC(C)I
InChIInChI=1S/C8H19IN2/c1-3-8(11)7(5-10)4-6(2)9/h6-8H,3-5,10-11H2,1-2H3
InChIKeyXUVPYWBYHUGGOB-UHFFFAOYSA-N
XLogP1.51
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 51.51
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-methylpropyl)heptane-1,3-diamine
CID 20848283
2-ethyl-4-methylpentane-1,3-diamine
CID 116945412
2-(trimethoxysilylmethyl)pentane-1,3-diamine
CID 87209337
hexane-3,4-diamine
CID 12656175
2-(1-iodoethyl)pentan-1-amine
CID 86037084
(2R,3S)-3-methylpentane-1,2-diamine
CID 93094304
4-amino-3-(2-methylpropyl)hexan-1-ol
CID 66089146
(3S)-2-methylpentan-3-amine;hydrochloride
CID 11651162
(3R)-3-(aminomethyl)pentan-2-ol
CID 141325021
5-(aminomethyl)-2-methylheptan-4-ol
CID 65187754
(2S)-propane-1,2-diamine
CID 642322
5-amino-2-methylheptan-4-ol
CID 21419745

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodopropyl)pentane-1,3-diamine?
The IUPAC name of 2-(2-iodopropyl)pentane-1,3-diamine (CID 139572582) is 2-(2-iodopropyl)pentane-1,3-diamine.
What is the SMILES notation for 2-(2-iodopropyl)pentane-1,3-diamine?
The canonical SMILES for 2-(2-iodopropyl)pentane-1,3-diamine is CCC(N)C(CN)CC(C)I.
What is the InChIKey of 2-(2-iodopropyl)pentane-1,3-diamine?
The InChIKey is XUVPYWBYHUGGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19IN2/c1-3-8(11)7(5-10)4-6(2)9/h6-8H,3-5,10-11H2,1-2H3.
What are the key properties of 2-(2-iodopropyl)pentane-1,3-diamine?
2-(2-iodopropyl)pentane-1,3-diamine has a molecular weight of 270.16 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodopropyl)pentane-1,3-diamine is sourced from PubChem (CID 139572582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).