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

C14H28N2 — CID 176680607

IUPACethane;N-methyl-5-propan-2-yl-N-propyl-3,4-dihydropyridin-2-amine
SMILESCC.CCCN(C)C1=NC=C(C(C)C)CC1
InChIInChI=1S/C12H22N2.C2H6/c1-5-8-14(4)12-7-6-11(9-13-12)10(2)3;1-2/h9-10H,5-8H2,1-4H3;1-2H3
InChIKeyBNCVWHYMWJELIV-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.09
Rot. Bonds3

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

ethane;N-methyl-5-propan-2-yl-N-propyl-3,4-dihydropyridin-2-amine (PubChem CID 176680607) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is ethane;N-methyl-5-propan-2-yl-N-propyl-3,4-dihydropyridin-2-amine.

Molecular Properties

Compound Nameethane;N-methyl-5-propan-2-yl-N-propyl-3,4-dihydropyridin-2-amine
PubChem CID176680607
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Nameethane;N-methyl-5-propan-2-yl-N-propyl-3,4-dihydropyridin-2-amine
SMILESCC.CCCN(C)C1=NC=C(C(C)C)CC1
InChIInChI=1S/C12H22N2.C2H6/c1-5-8-14(4)12-7-6-11(9-13-12)10(2)3;1-2/h9-10H,5-8H2,1-4H3;1-2H3
InChIKeyBNCVWHYMWJELIV-UHFFFAOYSA-N
XLogP4.09
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-diethyl-4-methyl-2-propan-2-yl-4H-pyrimidine
CID 17805658
1,5-diethyl-4-methyl-2-propan-2-yl-4H-pyrimidine
CID 57308003
3,7-Di(propan-2-yl)-3a,4,5,6-tetrahydropyrrolo[2,3-b]pyridine
CID 58110615
1,6,8-Trimethyl-3,4,4a,5,6,7-hexahydropyrimido[1,6-a]azepine
CID 89075746
N,N,5-trimethyl-3,4-dihydropyridin-2-amine
CID 89192259
5-methyl-N,N-dipropyl-3,4-dihydropyridin-2-amine
CID 89192335
N-ethyl-N,3-dimethyl-4,5-dihydro-3H-azepin-2-amine
CID 91491983
N-butyl-3-methyl-N-propyl-3,4-dihydropyridin-2-amine
CID 123537710
N-methyl-N-(3-methylbutyl)-N'-[(E)-2-methylpent-1-enyl]ethanimidamide
CID 131999138
4-(3-methylazepan-1-yl)-6-propan-2-yl-5H-1,3-diazepine
CID 134593266
5-butyl-3-methyl-2-[4-methyl-3-(3-methylbutyl)nonyl]-4H-pyrimidine
CID 142120543
5-butyl-2,3-dimethyl-4H-pyrimidine
CID 142120666

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-5-propan-2-yl-N-propyl-3,4-dihydropyridin-2-amine?
The IUPAC name of ethane;N-methyl-5-propan-2-yl-N-propyl-3,4-dihydropyridin-2-amine (CID 176680607) is ethane;N-methyl-5-propan-2-yl-N-propyl-3,4-dihydropyridin-2-amine.
What is the SMILES notation for ethane;N-methyl-5-propan-2-yl-N-propyl-3,4-dihydropyridin-2-amine?
The canonical SMILES for ethane;N-methyl-5-propan-2-yl-N-propyl-3,4-dihydropyridin-2-amine is CC.CCCN(C)C1=NC=C(C(C)C)CC1.
What is the InChIKey of ethane;N-methyl-5-propan-2-yl-N-propyl-3,4-dihydropyridin-2-amine?
The InChIKey is BNCVWHYMWJELIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2.C2H6/c1-5-8-14(4)12-7-6-11(9-13-12)10(2)3;1-2/h9-10H,5-8H2,1-4H3;1-2H3.
What are the key properties of ethane;N-methyl-5-propan-2-yl-N-propyl-3,4-dihydropyridin-2-amine?
ethane;N-methyl-5-propan-2-yl-N-propyl-3,4-dihydropyridin-2-amine has a molecular weight of 224.39 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-5-propan-2-yl-N-propyl-3,4-dihydropyridin-2-amine is sourced from PubChem (CID 176680607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).