5-cyclopropyl-N-(iodomethyl)-3-propan-2-ylpyridin-2-amine

C12H17IN2 — CID 163873811

IUPAC5-cyclopropyl-N-(iodomethyl)-3-propan-2-ylpyridin-2-amine
SMILESCC(C)c1cc(C2CC2)cnc1NCI
InChIInChI=1S/C12H17IN2/c1-8(2)11-5-10(9-3-4-9)6-14-12(11)15-7-13/h5-6,8-9H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyPNDCITXPUOIJFD-UHFFFAOYSA-N
MW316.19 g/mol
LogP3.89
Rot. Bonds4

About 5-cyclopropyl-N-(iodomethyl)-3-propan-2-ylpyridin-2-amine

5-cyclopropyl-N-(iodomethyl)-3-propan-2-ylpyridin-2-amine (PubChem CID 163873811) has the molecular formula C12H17IN2 and a molecular weight of 316.19 g/mol. Its IUPAC name is 5-cyclopropyl-N-(iodomethyl)-3-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-(iodomethyl)-3-propan-2-ylpyridin-2-amine
PubChem CID163873811
Molecular FormulaC12H17IN2
Molecular Weight316.19 g/mol
Exact Mass316.04
IUPAC Name5-cyclopropyl-N-(iodomethyl)-3-propan-2-ylpyridin-2-amine
SMILESCC(C)c1cc(C2CC2)cnc1NCI
InChIInChI=1S/C12H17IN2/c1-8(2)11-5-10(9-3-4-9)6-14-12(11)15-7-13/h5-6,8-9H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyPNDCITXPUOIJFD-UHFFFAOYSA-N
XLogP3.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 53.89
H-Bond Donors ≤ 51
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

3-methyl-5-(1-methylpiperidin-4-yl)-2-propan-2-ylpyridine
CID 170588740
5-cyclopropyl-2-cyclopropyloxy-3-propan-2-ylpyridine;5-cyclopropyl-2-methoxy-3-propan-2-ylpyridine;N-cyclopropyl-5-methyl-3-propan-2-ylpyridin-2-amine;5-cyclopropyl-N-methyl-3-propan-2-ylpyridin-2-amine;2-cyclopropyloxy-5-methyl-3-propan-2-ylpyridine;N,5-dicyclopropyl-3-propan-2-ylpyridin-2-amine;pentakis(N,5-dimethyl-3-propan-2-ylpyridin-2-amine);methane;pentakis(2-methoxy-5-methyl-3-propan-2-ylpyridine)
CID 167630875
4-cyclopropyl-N-(2-methylpropyl)pyridin-2-amine
CID 130920688
2-cyclopropyl-5-ethyl-3-propan-2-ylpyridine
CID 137409439
5-cyclopentyl-2-propan-2-ylpyridine-3-carboxylic acid
CID 83918791
CID 173488046
CID 173488046
2-cyclopropyl-5-fluoro-4-propan-2-ylpyridine
CID 177051132
5-cyclopentyl-N-propan-2-ylpyrimidin-2-amine
CID 116977251
2,3-dibromo-5-cyclopropylpyridine
CID 130053485
5-(oxan-4-yl)-2-propan-2-ylpyridin-3-amine
CID 83917616
[5-cyclopropyl-2-[[1-(2-methylpropyl)-7-phenylindol-5-yl]amino]-3-pyridinyl]methanediol
CID 138500990
2,3-dimethyl-5-(1-methylpiperidin-4-yl)pyridine
CID 158714513

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(iodomethyl)-3-propan-2-ylpyridin-2-amine?
The IUPAC name of 5-cyclopropyl-N-(iodomethyl)-3-propan-2-ylpyridin-2-amine (CID 163873811) is 5-cyclopropyl-N-(iodomethyl)-3-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-(iodomethyl)-3-propan-2-ylpyridin-2-amine?
The canonical SMILES for 5-cyclopropyl-N-(iodomethyl)-3-propan-2-ylpyridin-2-amine is CC(C)c1cc(C2CC2)cnc1NCI.
What is the InChIKey of 5-cyclopropyl-N-(iodomethyl)-3-propan-2-ylpyridin-2-amine?
The InChIKey is PNDCITXPUOIJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN2/c1-8(2)11-5-10(9-3-4-9)6-14-12(11)15-7-13/h5-6,8-9H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of 5-cyclopropyl-N-(iodomethyl)-3-propan-2-ylpyridin-2-amine?
5-cyclopropyl-N-(iodomethyl)-3-propan-2-ylpyridin-2-amine has a molecular weight of 316.19 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(iodomethyl)-3-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 163873811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).