N-(3,4-dihydropyridin-5-ylmethyl)-2-methylpropan-2-amine

C10H18N2 — CID 154993224

IUPACN-(3,4-dihydropyridin-5-ylmethyl)-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1=CN=CCC1
InChIInChI=1S/C10H18N2/c1-10(2,3)12-8-9-5-4-6-11-7-9/h6-7,12H,4-5,8H2,1-3H3
InChIKeyPFDSUAFVSWNFNL-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.12
Rot. Bonds2

About N-(3,4-dihydropyridin-5-ylmethyl)-2-methylpropan-2-amine

N-(3,4-dihydropyridin-5-ylmethyl)-2-methylpropan-2-amine (PubChem CID 154993224) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-(3,4-dihydropyridin-5-ylmethyl)-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-(3,4-dihydropyridin-5-ylmethyl)-2-methylpropan-2-amine
PubChem CID154993224
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-(3,4-dihydropyridin-5-ylmethyl)-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1=CN=CCC1
InChIInChI=1S/C10H18N2/c1-10(2,3)12-8-9-5-4-6-11-7-9/h6-7,12H,4-5,8H2,1-3H3
InChIKeyPFDSUAFVSWNFNL-UHFFFAOYSA-N
XLogP2.12
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydropyridin-5-ylmethyl)-2-methylpropan-2-amine?
The IUPAC name of N-(3,4-dihydropyridin-5-ylmethyl)-2-methylpropan-2-amine (CID 154993224) is N-(3,4-dihydropyridin-5-ylmethyl)-2-methylpropan-2-amine.
What is the SMILES notation for N-(3,4-dihydropyridin-5-ylmethyl)-2-methylpropan-2-amine?
The canonical SMILES for N-(3,4-dihydropyridin-5-ylmethyl)-2-methylpropan-2-amine is CC(C)(C)NCC1=CN=CCC1.
What is the InChIKey of N-(3,4-dihydropyridin-5-ylmethyl)-2-methylpropan-2-amine?
The InChIKey is PFDSUAFVSWNFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-10(2,3)12-8-9-5-4-6-11-7-9/h6-7,12H,4-5,8H2,1-3H3.
What are the key properties of N-(3,4-dihydropyridin-5-ylmethyl)-2-methylpropan-2-amine?
N-(3,4-dihydropyridin-5-ylmethyl)-2-methylpropan-2-amine has a molecular weight of 166.27 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydropyridin-5-ylmethyl)-2-methylpropan-2-amine is sourced from PubChem (CID 154993224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).