[1-(3,6-dihydro-2H-pyridin-1-ylmethyl)cyclopropyl]methanamine

C10H18N2 — CID 114410624

IUPAC[1-(3,6-dihydro-2H-pyridin-1-ylmethyl)cyclopropyl]methanamine
SMILESNCC1(CN2CC=CCC2)CC1
InChIInChI=1S/C10H18N2/c11-8-10(4-5-10)9-12-6-2-1-3-7-12/h1-2H,3-9,11H2
InChIKeyFJJXTADIPPBQNE-UHFFFAOYSA-N
MW166.27 g/mol
LogP0.99
Rot. Bonds3

About [1-(3,6-dihydro-2H-pyridin-1-ylmethyl)cyclopropyl]methanamine

[1-(3,6-dihydro-2H-pyridin-1-ylmethyl)cyclopropyl]methanamine (PubChem CID 114410624) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is [1-(3,6-dihydro-2H-pyridin-1-ylmethyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(3,6-dihydro-2H-pyridin-1-ylmethyl)cyclopropyl]methanamine
PubChem CID114410624
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name[1-(3,6-dihydro-2H-pyridin-1-ylmethyl)cyclopropyl]methanamine
SMILESNCC1(CN2CC=CCC2)CC1
InChIInChI=1S/C10H18N2/c11-8-10(4-5-10)9-12-6-2-1-3-7-12/h1-2H,3-9,11H2
InChIKeyFJJXTADIPPBQNE-UHFFFAOYSA-N
XLogP0.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxan-4-amine
CID 114410477
1-[(3-ethylpyrrolidin-3-yl)methyl]-3,6-dihydro-2H-pyridine
CID 114410666
[1-(pyrrolidin-1-ylmethyl)cyclopentyl]methanamine
CID 62261664
[1-[(4-fluoropiperidin-1-yl)methyl]cyclopropyl]methanamine
CID 164659485
1-[(2-methylpiperidin-2-yl)methyl]-3,6-dihydro-2H-pyridine
CID 114410563
[1-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)cyclopropyl]methanamine
CID 115453899
[1-(azepan-1-ylmethyl)cyclobutyl]methanamine
CID 82171578
[1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)cyclopropyl]methanamine
CID 115453849
[1-(2-azaspiro[4.4]nonan-2-ylmethyl)cyclopropyl]methanamine
CID 166178279
[1-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]methanamine
CID 115453856
[1-[(4-propan-2-ylpiperidin-1-yl)methyl]cyclopropyl]methanamine
CID 103497578
[4-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]methanamine
CID 82364080

Frequently Asked Questions

What is the IUPAC name of [1-(3,6-dihydro-2H-pyridin-1-ylmethyl)cyclopropyl]methanamine?
The IUPAC name of [1-(3,6-dihydro-2H-pyridin-1-ylmethyl)cyclopropyl]methanamine (CID 114410624) is [1-(3,6-dihydro-2H-pyridin-1-ylmethyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(3,6-dihydro-2H-pyridin-1-ylmethyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(3,6-dihydro-2H-pyridin-1-ylmethyl)cyclopropyl]methanamine is NCC1(CN2CC=CCC2)CC1.
What is the InChIKey of [1-(3,6-dihydro-2H-pyridin-1-ylmethyl)cyclopropyl]methanamine?
The InChIKey is FJJXTADIPPBQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c11-8-10(4-5-10)9-12-6-2-1-3-7-12/h1-2H,3-9,11H2.
What are the key properties of [1-(3,6-dihydro-2H-pyridin-1-ylmethyl)cyclopropyl]methanamine?
[1-(3,6-dihydro-2H-pyridin-1-ylmethyl)cyclopropyl]methanamine has a molecular weight of 166.27 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,6-dihydro-2H-pyridin-1-ylmethyl)cyclopropyl]methanamine is sourced from PubChem (CID 114410624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).