N-(2,3-dihydropyridin-6-ylmethyl)-N-methylpropan-1-amine

C10H18N2 — CID 146592609

IUPACN-(2,3-dihydropyridin-6-ylmethyl)-N-methylpropan-1-amine
SMILESCCCN(C)CC1=NCCC=C1
InChIInChI=1S/C10H18N2/c1-3-8-12(2)9-10-6-4-5-7-11-10/h4,6H,3,5,7-9H2,1-2H3
InChIKeyKNLNYHPWRMQSQG-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.73
Rot. Bonds4

About N-(2,3-dihydropyridin-6-ylmethyl)-N-methylpropan-1-amine

N-(2,3-dihydropyridin-6-ylmethyl)-N-methylpropan-1-amine (PubChem CID 146592609) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-(2,3-dihydropyridin-6-ylmethyl)-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydropyridin-6-ylmethyl)-N-methylpropan-1-amine
PubChem CID146592609
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-(2,3-dihydropyridin-6-ylmethyl)-N-methylpropan-1-amine
SMILESCCCN(C)CC1=NCCC=C1
InChIInChI=1S/C10H18N2/c1-3-8-12(2)9-10-6-4-5-7-11-10/h4,6H,3,5,7-9H2,1-2H3
InChIKeyKNLNYHPWRMQSQG-UHFFFAOYSA-N
XLogP1.73
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydropyridin-6-ylmethyl)-N-methylpropan-1-amine?
The IUPAC name of N-(2,3-dihydropyridin-6-ylmethyl)-N-methylpropan-1-amine (CID 146592609) is N-(2,3-dihydropyridin-6-ylmethyl)-N-methylpropan-1-amine.
What is the SMILES notation for N-(2,3-dihydropyridin-6-ylmethyl)-N-methylpropan-1-amine?
The canonical SMILES for N-(2,3-dihydropyridin-6-ylmethyl)-N-methylpropan-1-amine is CCCN(C)CC1=NCCC=C1.
What is the InChIKey of N-(2,3-dihydropyridin-6-ylmethyl)-N-methylpropan-1-amine?
The InChIKey is KNLNYHPWRMQSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-8-12(2)9-10-6-4-5-7-11-10/h4,6H,3,5,7-9H2,1-2H3.
What are the key properties of N-(2,3-dihydropyridin-6-ylmethyl)-N-methylpropan-1-amine?
N-(2,3-dihydropyridin-6-ylmethyl)-N-methylpropan-1-amine has a molecular weight of 166.27 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydropyridin-6-ylmethyl)-N-methylpropan-1-amine is sourced from PubChem (CID 146592609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).