N-methyl-5-propan-2-yl-N-propyl-3,4-dihydropyridin-2-amine

C12H22N2 — CID 176680608

IUPACN-methyl-5-propan-2-yl-N-propyl-3,4-dihydropyridin-2-amine
SMILESCCCN(C)C1=NC=C(C(C)C)CC1
InChIInChI=1S/C12H22N2/c1-5-8-14(4)12-7-6-11(9-13-12)10(2)3/h9-10H,5-8H2,1-4H3
InChIKeyDOTXEXKUJKVNNS-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.06
Rot. Bonds3

About N-methyl-5-propan-2-yl-N-propyl-3,4-dihydropyridin-2-amine

N-methyl-5-propan-2-yl-N-propyl-3,4-dihydropyridin-2-amine (PubChem CID 176680608) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-methyl-5-propan-2-yl-N-propyl-3,4-dihydropyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-propan-2-yl-N-propyl-3,4-dihydropyridin-2-amine
PubChem CID176680608
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-methyl-5-propan-2-yl-N-propyl-3,4-dihydropyridin-2-amine
SMILESCCCN(C)C1=NC=C(C(C)C)CC1
InChIInChI=1S/C12H22N2/c1-5-8-14(4)12-7-6-11(9-13-12)10(2)3/h9-10H,5-8H2,1-4H3
InChIKeyDOTXEXKUJKVNNS-UHFFFAOYSA-N
XLogP3.06
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-propan-2-yl-N-propyl-3,4-dihydropyridin-2-amine?
The IUPAC name of N-methyl-5-propan-2-yl-N-propyl-3,4-dihydropyridin-2-amine (CID 176680608) is N-methyl-5-propan-2-yl-N-propyl-3,4-dihydropyridin-2-amine.
What is the SMILES notation for N-methyl-5-propan-2-yl-N-propyl-3,4-dihydropyridin-2-amine?
The canonical SMILES for N-methyl-5-propan-2-yl-N-propyl-3,4-dihydropyridin-2-amine is CCCN(C)C1=NC=C(C(C)C)CC1.
What is the InChIKey of N-methyl-5-propan-2-yl-N-propyl-3,4-dihydropyridin-2-amine?
The InChIKey is DOTXEXKUJKVNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-5-8-14(4)12-7-6-11(9-13-12)10(2)3/h9-10H,5-8H2,1-4H3.
What are the key properties of N-methyl-5-propan-2-yl-N-propyl-3,4-dihydropyridin-2-amine?
N-methyl-5-propan-2-yl-N-propyl-3,4-dihydropyridin-2-amine has a molecular weight of 194.32 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-propan-2-yl-N-propyl-3,4-dihydropyridin-2-amine is sourced from PubChem (CID 176680608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).