N,N'-dimethyl-N'-(6-methyl-2-propan-2-yl-3,4-dihydropyridin-5-yl)ethane-1,2-diamine

C13H25N3 — CID 142358586

IUPACN,N'-dimethyl-N'-(6-methyl-2-propan-2-yl-3,4-dihydropyridin-5-yl)ethane-1,2-diamine
SMILESCNCCN(C)C1=C(C)N=C(C(C)C)CC1
InChIInChI=1S/C13H25N3/c1-10(2)12-6-7-13(11(3)15-12)16(5)9-8-14-4/h10,14H,6-9H2,1-5H3
InChIKeyXDTNCWPMWMGVNX-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.26
Rot. Bonds5

About N,N'-dimethyl-N'-(6-methyl-2-propan-2-yl-3,4-dihydropyridin-5-yl)ethane-1,2-diamine

N,N'-dimethyl-N'-(6-methyl-2-propan-2-yl-3,4-dihydropyridin-5-yl)ethane-1,2-diamine (PubChem CID 142358586) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N,N'-dimethyl-N'-(6-methyl-2-propan-2-yl-3,4-dihydropyridin-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-(6-methyl-2-propan-2-yl-3,4-dihydropyridin-5-yl)ethane-1,2-diamine
PubChem CID142358586
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN,N'-dimethyl-N'-(6-methyl-2-propan-2-yl-3,4-dihydropyridin-5-yl)ethane-1,2-diamine
SMILESCNCCN(C)C1=C(C)N=C(C(C)C)CC1
InChIInChI=1S/C13H25N3/c1-10(2)12-6-7-13(11(3)15-12)16(5)9-8-14-4/h10,14H,6-9H2,1-5H3
InChIKeyXDTNCWPMWMGVNX-UHFFFAOYSA-N
XLogP2.26
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-dimethyl-2,3,5,6-tetrahydro-1H-cyclopenta[b]pyrazine
CID 129929860
3,5,7-trimethyl-2,3,5,6-tetrahydro-1H-cyclopenta[b]pyrazine
CID 129929861
4-(4,5-dimethyl-3H-pyrrol-2-yl)piperidine
CID 58578279
2,3,8-Trimethyl-1,2,5,6,7,8-hexahydroquinoxaline
CID 118890960
N-ethyl-N'-[(4-iminocyclohex-2-en-1-yl)methyl]ethane-1,2-diamine
CID 123781711
N-methyl-1-[2-methyl-3-(propan-2-ylideneamino)cyclohex-2-en-1-yl]methanamine
CID 132196155
5-(N-methyl-C-propan-2-ylcarbonimidoyl)-1,2,3,6-tetrahydropyridin-4-amine
CID 134172196
N,N'-dimethyl-N'-[(E)-2-(3-methylbutan-2-ylideneamino)pent-2-en-3-yl]ethane-1,2-diamine
CID 142358558
2-(2-propan-2-yl-4,5,7,8-tetrahydro-3H-1,6-naphthyridin-6-yl)ethanamine
CID 142358580
ethane;2-(ethylideneamino)-N,3-dimethylcyclohexen-1-amine
CID 143146396
2,3,7-trimethyl-2,3,5,6-tetrahydro-1H-cyclopenta[b]pyrazine
CID 129929862
2-(ethylideneamino)-N,3-dimethylcyclohexen-1-amine
CID 143146397

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-(6-methyl-2-propan-2-yl-3,4-dihydropyridin-5-yl)ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-(6-methyl-2-propan-2-yl-3,4-dihydropyridin-5-yl)ethane-1,2-diamine (CID 142358586) is N,N'-dimethyl-N'-(6-methyl-2-propan-2-yl-3,4-dihydropyridin-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-(6-methyl-2-propan-2-yl-3,4-dihydropyridin-5-yl)ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-(6-methyl-2-propan-2-yl-3,4-dihydropyridin-5-yl)ethane-1,2-diamine is CNCCN(C)C1=C(C)N=C(C(C)C)CC1.
What is the InChIKey of N,N'-dimethyl-N'-(6-methyl-2-propan-2-yl-3,4-dihydropyridin-5-yl)ethane-1,2-diamine?
The InChIKey is XDTNCWPMWMGVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-10(2)12-6-7-13(11(3)15-12)16(5)9-8-14-4/h10,14H,6-9H2,1-5H3.
What are the key properties of N,N'-dimethyl-N'-(6-methyl-2-propan-2-yl-3,4-dihydropyridin-5-yl)ethane-1,2-diamine?
N,N'-dimethyl-N'-(6-methyl-2-propan-2-yl-3,4-dihydropyridin-5-yl)ethane-1,2-diamine has a molecular weight of 223.36 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-(6-methyl-2-propan-2-yl-3,4-dihydropyridin-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 142358586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).