ethane;(3-methyl-2,3-dihydropyridin-6-yl)methanamine

C9H18N2 — CID 144514602

IUPACethane;(3-methyl-2,3-dihydropyridin-6-yl)methanamine
SMILESCC.CC1C=CC(CN)=NC1
InChIInChI=1S/C7H12N2.C2H6/c1-6-2-3-7(4-8)9-5-6;1-2/h2-3,6H,4-5,8H2,1H3;1-2H3
InChIKeyOAFNMMIVCXJNAF-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.62
Rot. Bonds1

About ethane;(3-methyl-2,3-dihydropyridin-6-yl)methanamine

ethane;(3-methyl-2,3-dihydropyridin-6-yl)methanamine (PubChem CID 144514602) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is ethane;(3-methyl-2,3-dihydropyridin-6-yl)methanamine.

Molecular Properties

Compound Nameethane;(3-methyl-2,3-dihydropyridin-6-yl)methanamine
PubChem CID144514602
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Nameethane;(3-methyl-2,3-dihydropyridin-6-yl)methanamine
SMILESCC.CC1C=CC(CN)=NC1
InChIInChI=1S/C7H12N2.C2H6/c1-6-2-3-7(4-8)9-5-6;1-2/h2-3,6H,4-5,8H2,1H3;1-2H3
InChIKeyOAFNMMIVCXJNAF-UHFFFAOYSA-N
XLogP1.62
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-2-ethylimino-5-fluorohex-3-en-1-amine
CID 143075712
3,6-Dimethyl-2,3-dihydropyridine
CID 68102669
2,3-Dihydropyridin-6-ylmethanamine
CID 70426662
(3S)-3,6-dimethyl-2,3-dihydropyridine
CID 89130630
(Z)-N-ethyl-5-methylhex-3-en-2-imine
CID 90713903
2-(3-Methyl-2,3-dihydropyridin-6-yl)ethanimine
CID 91543347
(Z)-2-methyliminohex-3-en-1-amine
CID 123256608
4-N,9-dimethyldeca-2,7-diene-1,4-diimine
CID 123259885
(4,6-Dimethyl-2,3-dihydropyridin-3-yl)methanamine
CID 123421069
(Z)-5-imino-2-methylhex-3-en-1-amine
CID 123452418
4-N-ethyl-2-methylcyclohexa-2,5-diene-1,4-diimine
CID 123632189
(Z)-2-methyliminopent-3-en-1-amine
CID 124181230

Frequently Asked Questions

What is the IUPAC name of ethane;(3-methyl-2,3-dihydropyridin-6-yl)methanamine?
The IUPAC name of ethane;(3-methyl-2,3-dihydropyridin-6-yl)methanamine (CID 144514602) is ethane;(3-methyl-2,3-dihydropyridin-6-yl)methanamine.
What is the SMILES notation for ethane;(3-methyl-2,3-dihydropyridin-6-yl)methanamine?
The canonical SMILES for ethane;(3-methyl-2,3-dihydropyridin-6-yl)methanamine is CC.CC1C=CC(CN)=NC1.
What is the InChIKey of ethane;(3-methyl-2,3-dihydropyridin-6-yl)methanamine?
The InChIKey is OAFNMMIVCXJNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C2H6/c1-6-2-3-7(4-8)9-5-6;1-2/h2-3,6H,4-5,8H2,1H3;1-2H3.
What are the key properties of ethane;(3-methyl-2,3-dihydropyridin-6-yl)methanamine?
ethane;(3-methyl-2,3-dihydropyridin-6-yl)methanamine has a molecular weight of 154.26 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3-methyl-2,3-dihydropyridin-6-yl)methanamine is sourced from PubChem (CID 144514602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).