(1R)-1-iodo-N-propylethane-1,2-diamine

C5H13IN2 — CID 89108168

IUPAC(1R)-1-iodo-N-propylethane-1,2-diamine
SMILESCCCNC(I)CN
InChIInChI=1S/C5H13IN2/c1-2-3-8-5(6)4-7/h5,8H,2-4,7H2,1H3
InChIKeyARUSFNGEGAPRJD-UHFFFAOYSA-N
MW228.08 g/mol
LogP0.71
Rot. Bonds4

About (1R)-1-iodo-N-propylethane-1,2-diamine

(1R)-1-iodo-N-propylethane-1,2-diamine (PubChem CID 89108168) has the molecular formula C5H13IN2 and a molecular weight of 228.08 g/mol. Its IUPAC name is (1R)-1-iodo-N-propylethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-1-iodo-N-propylethane-1,2-diamine
PubChem CID89108168
Molecular FormulaC5H13IN2
Molecular Weight228.08 g/mol
Exact Mass228.01
IUPAC Name(1R)-1-iodo-N-propylethane-1,2-diamine
SMILESCCCNC(I)CN
InChIInChI=1S/C5H13IN2/c1-2-3-8-5(6)4-7/h5,8H,2-4,7H2,1H3
InChIKeyARUSFNGEGAPRJD-UHFFFAOYSA-N
XLogP0.71
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 50.71
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

methanamine;N-propan-2-ylpropan-1-amine
CID 156646096
1-N'-propylethane-1,1-diamine;hydrochloride
CID 140981166
4-methylsulfanyl-2-N-propylbutane-1,2-diamine
CID 62065657
3-N-propylhexane-1,3-diamine
CID 88724695
4,4-dimethoxy-2-N-propylbutane-1,2-diamine
CID 66268239
2-amino-2-(propylamino)ethanol
CID 87879676
4-amino-N-methyl-3-(propylamino)butanamide
CID 66427140
CID 59694519
CID 59694519
1-(propylamino)ethanethiol
CID 23019004
1-N,1-N'-dipropylbutane-1,1-diamine
CID 154626428
3,3-diphenyl-2-N-propylpropane-1,2-diamine
CID 107292802
(2S)-2-iodo-N-propylpropan-1-amine
CID 139491704

Frequently Asked Questions

What is the IUPAC name of (1R)-1-iodo-N-propylethane-1,2-diamine?
The IUPAC name of (1R)-1-iodo-N-propylethane-1,2-diamine (CID 89108168) is (1R)-1-iodo-N-propylethane-1,2-diamine.
What is the SMILES notation for (1R)-1-iodo-N-propylethane-1,2-diamine?
The canonical SMILES for (1R)-1-iodo-N-propylethane-1,2-diamine is CCCNC(I)CN.
What is the InChIKey of (1R)-1-iodo-N-propylethane-1,2-diamine?
The InChIKey is ARUSFNGEGAPRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13IN2/c1-2-3-8-5(6)4-7/h5,8H,2-4,7H2,1H3.
What are the key properties of (1R)-1-iodo-N-propylethane-1,2-diamine?
(1R)-1-iodo-N-propylethane-1,2-diamine has a molecular weight of 228.08 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-iodo-N-propylethane-1,2-diamine is sourced from PubChem (CID 89108168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).