ethane;5-methyl-N-(2-morpholin-4-ylethyl)-1,2-dihydropyridin-3-amine

C14H27N3O — CID 142345364

IUPACethane;5-methyl-N-(2-morpholin-4-ylethyl)-1,2-dihydropyridin-3-amine
SMILESCC.CC1=CNCC(NCCN2CCOCC2)=C1
InChIInChI=1S/C12H21N3O.C2H6/c1-11-8-12(10-13-9-11)14-2-3-15-4-6-16-7-5-15;1-2/h8-9,13-14H,2-7,10H2,1H3;1-2H3
InChIKeyAVQXUKDDPINJCF-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.33
Rot. Bonds4

About ethane;5-methyl-N-(2-morpholin-4-ylethyl)-1,2-dihydropyridin-3-amine

ethane;5-methyl-N-(2-morpholin-4-ylethyl)-1,2-dihydropyridin-3-amine (PubChem CID 142345364) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is ethane;5-methyl-N-(2-morpholin-4-ylethyl)-1,2-dihydropyridin-3-amine.

Molecular Properties

Compound Nameethane;5-methyl-N-(2-morpholin-4-ylethyl)-1,2-dihydropyridin-3-amine
PubChem CID142345364
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Nameethane;5-methyl-N-(2-morpholin-4-ylethyl)-1,2-dihydropyridin-3-amine
SMILESCC.CC1=CNCC(NCCN2CCOCC2)=C1
InChIInChI=1S/C12H21N3O.C2H6/c1-11-8-12(10-13-9-11)14-2-3-15-4-6-16-7-5-15;1-2/h8-9,13-14H,2-7,10H2,1H3;1-2H3
InChIKeyAVQXUKDDPINJCF-UHFFFAOYSA-N
XLogP1.33
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,5-trimethyl-N-(2-morpholin-4-ylethyl)aniline
CID 82498851
5-iodo-1-N,3-N-bis(2-morpholin-4-ylethyl)benzene-1,3-diamine
CID 153298189
ethane;5-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine
CID 143962241
3-chloro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 28568493
3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 28583324
5-methyl-N-(2-morpholin-4-ylethyl)pyridin-2-amine
CID 23551658
3-bromo-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 39420305
2-methyl-6-(2-morpholin-4-ylethylamino)benzonitrile
CID 114003078
3-methyl-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine
CID 59058894
4-chloro-N-(2-morpholin-4-ylethyl)aniline
CID 28580807
3-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine
CID 119027809
6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 67328297

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-N-(2-morpholin-4-ylethyl)-1,2-dihydropyridin-3-amine?
The IUPAC name of ethane;5-methyl-N-(2-morpholin-4-ylethyl)-1,2-dihydropyridin-3-amine (CID 142345364) is ethane;5-methyl-N-(2-morpholin-4-ylethyl)-1,2-dihydropyridin-3-amine.
What is the SMILES notation for ethane;5-methyl-N-(2-morpholin-4-ylethyl)-1,2-dihydropyridin-3-amine?
The canonical SMILES for ethane;5-methyl-N-(2-morpholin-4-ylethyl)-1,2-dihydropyridin-3-amine is CC.CC1=CNCC(NCCN2CCOCC2)=C1.
What is the InChIKey of ethane;5-methyl-N-(2-morpholin-4-ylethyl)-1,2-dihydropyridin-3-amine?
The InChIKey is AVQXUKDDPINJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O.C2H6/c1-11-8-12(10-13-9-11)14-2-3-15-4-6-16-7-5-15;1-2/h8-9,13-14H,2-7,10H2,1H3;1-2H3.
What are the key properties of ethane;5-methyl-N-(2-morpholin-4-ylethyl)-1,2-dihydropyridin-3-amine?
ethane;5-methyl-N-(2-morpholin-4-ylethyl)-1,2-dihydropyridin-3-amine has a molecular weight of 253.39 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-N-(2-morpholin-4-ylethyl)-1,2-dihydropyridin-3-amine is sourced from PubChem (CID 142345364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).