1,5-dimethyl-N-[(2S)-3-methylbutan-2-yl]-3,6-dihydro-2H-pyridin-4-amine

C12H24N2 — CID 54392699

IUPAC1,5-dimethyl-N-[(2S)-3-methylbutan-2-yl]-3,6-dihydro-2H-pyridin-4-amine
SMILESCC1=C(N[C@@H](C)C(C)C)CCN(C)C1
InChIInChI=1S/C12H24N2/c1-9(2)11(4)13-12-6-7-14(5)8-10(12)3/h9,11,13H,6-8H2,1-5H3/t11-/m0/s1
InChIKeyVHTZDKNXBLPBIB-NSHDSACASA-N
MW196.34 g/mol
LogP2.23
Rot. Bonds3

About 1,5-dimethyl-N-[(2S)-3-methylbutan-2-yl]-3,6-dihydro-2H-pyridin-4-amine

1,5-dimethyl-N-[(2S)-3-methylbutan-2-yl]-3,6-dihydro-2H-pyridin-4-amine (PubChem CID 54392699) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1,5-dimethyl-N-[(2S)-3-methylbutan-2-yl]-3,6-dihydro-2H-pyridin-4-amine.

Molecular Properties

Compound Name1,5-dimethyl-N-[(2S)-3-methylbutan-2-yl]-3,6-dihydro-2H-pyridin-4-amine
PubChem CID54392699
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1,5-dimethyl-N-[(2S)-3-methylbutan-2-yl]-3,6-dihydro-2H-pyridin-4-amine
SMILESCC1=C(N[C@@H](C)C(C)C)CCN(C)C1
InChIInChI=1S/C12H24N2/c1-9(2)11(4)13-12-6-7-14(5)8-10(12)3/h9,11,13H,6-8H2,1-5H3/t11-/m0/s1
InChIKeyVHTZDKNXBLPBIB-NSHDSACASA-N
XLogP2.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,1,5-trimethyl-3,6-dihydro-2H-pyridin-4-amine
CID 54565399
N,5-dimethyl-1,2,3,6-tetrahydropyridin-4-amine
CID 58270063
2,4-dimethyl-N-propan-2-ylpent-2-en-3-amine
CID 58801048
N,N,1,2,3,5,6-heptamethyl-3,6-dihydro-2H-pyridin-4-amine
CID 59886899
5-(aminomethyl)-N,1-dimethyl-3,6-dihydro-2H-pyridin-4-amine
CID 67589667
2,3,4,5,6-Pentamethyl-1,2-dihydropyridine
CID 68201893
N-methyl-5,6-di(propan-2-yl)-1,2,3,4-tetrahydropyridin-4-amine
CID 90075875
4,5,6-tri(propan-2-yl)-2,3-dihydro-1H-pyrazine
CID 90075920
(Z)-3,4-dimethyl-N-propan-2-ylpent-2-en-2-amine
CID 117638660
N,5,6-trimethyl-1,2,3,4-tetrahydropyridin-4-amine
CID 118348561
1-ethyl-N-(1-iodoethyl)-5-methyl-3,6-dihydro-2H-pyridin-4-amine
CID 118423121
N,5-dimethyl-1,2,3,6-tetrahydropyridin-4-amine;ethane
CID 123971749

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[(2S)-3-methylbutan-2-yl]-3,6-dihydro-2H-pyridin-4-amine?
The IUPAC name of 1,5-dimethyl-N-[(2S)-3-methylbutan-2-yl]-3,6-dihydro-2H-pyridin-4-amine (CID 54392699) is 1,5-dimethyl-N-[(2S)-3-methylbutan-2-yl]-3,6-dihydro-2H-pyridin-4-amine.
What is the SMILES notation for 1,5-dimethyl-N-[(2S)-3-methylbutan-2-yl]-3,6-dihydro-2H-pyridin-4-amine?
The canonical SMILES for 1,5-dimethyl-N-[(2S)-3-methylbutan-2-yl]-3,6-dihydro-2H-pyridin-4-amine is CC1=C(N[C@@H](C)C(C)C)CCN(C)C1.
What is the InChIKey of 1,5-dimethyl-N-[(2S)-3-methylbutan-2-yl]-3,6-dihydro-2H-pyridin-4-amine?
The InChIKey is VHTZDKNXBLPBIB-NSHDSACASA-N. The full InChI is InChI=1S/C12H24N2/c1-9(2)11(4)13-12-6-7-14(5)8-10(12)3/h9,11,13H,6-8H2,1-5H3/t11-/m0/s1.
What are the key properties of 1,5-dimethyl-N-[(2S)-3-methylbutan-2-yl]-3,6-dihydro-2H-pyridin-4-amine?
1,5-dimethyl-N-[(2S)-3-methylbutan-2-yl]-3,6-dihydro-2H-pyridin-4-amine has a molecular weight of 196.34 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[(2S)-3-methylbutan-2-yl]-3,6-dihydro-2H-pyridin-4-amine is sourced from PubChem (CID 54392699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).