3,4-dihydropyridin-2-ylmethanamine

C6H10N2 — CID 122591931

IUPAC3,4-dihydropyridin-2-ylmethanamine
SMILESNCC1=NC=CCC1
InChIInChI=1S/C6H10N2/c7-5-6-3-1-2-4-8-6/h2,4H,1,3,5,7H2
InChIKeyLQUYMWPYVQQIGP-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.69
Rot. Bonds1

About 3,4-dihydropyridin-2-ylmethanamine

3,4-dihydropyridin-2-ylmethanamine (PubChem CID 122591931) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 3,4-dihydropyridin-2-ylmethanamine.

Molecular Properties

Compound Name3,4-dihydropyridin-2-ylmethanamine
PubChem CID122591931
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name3,4-dihydropyridin-2-ylmethanamine
SMILESNCC1=NC=CCC1
InChIInChI=1S/C6H10N2/c7-5-6-3-1-2-4-8-6/h2,4H,1,3,5,7H2
InChIKeyLQUYMWPYVQQIGP-UHFFFAOYSA-N
XLogP0.69
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3H-pyrrol-2-ylmethanamine
CID 58305156
3-(3H-pyrrol-2-yl)propan-1-amine
CID 58381456
CID 58427153
CID 58427153
4-(3H-pyrrol-2-yl)butan-1-amine
CID 68451847
2-(3,4-dihydro-2H-pyrrol-5-yl)ethenamine
CID 70629717
(Z)-3-ethenyliminopent-1-ene-1,5-diamine
CID 89018201
(3-Methyl-3,4-dihydropyridin-2-yl)methanamine
CID 89230964
2-[(Aminodiazenyl)methyl]-3,4-dihydropyridine
CID 89489155
2-(3,4-Dihydropyridin-2-yl)ethanamine
CID 118085069
(1R)-1-(3H-pyrrol-2-yl)ethanamine
CID 123818544
(Z)-5-(methylideneamino)-2-[(Z)-2-(methylideneamino)ethenyl]iminopent-4-en-1-amine
CID 132038869
N'-methyl-3,4-dihydropyridine-2-carboximidamide
CID 142289107

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydropyridin-2-ylmethanamine?
The IUPAC name of 3,4-dihydropyridin-2-ylmethanamine (CID 122591931) is 3,4-dihydropyridin-2-ylmethanamine.
What is the SMILES notation for 3,4-dihydropyridin-2-ylmethanamine?
The canonical SMILES for 3,4-dihydropyridin-2-ylmethanamine is NCC1=NC=CCC1.
What is the InChIKey of 3,4-dihydropyridin-2-ylmethanamine?
The InChIKey is LQUYMWPYVQQIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c7-5-6-3-1-2-4-8-6/h2,4H,1,3,5,7H2.
What are the key properties of 3,4-dihydropyridin-2-ylmethanamine?
3,4-dihydropyridin-2-ylmethanamine has a molecular weight of 110.16 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydropyridin-2-ylmethanamine is sourced from PubChem (CID 122591931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).