(2R,3Z)-5-[(Z)-3-amino-2-methylprop-1-enyl]-6-methyl-3-(2-methylbutylidene)-2,6-dihydro-1H-pyridin-2-amine

C15H27N3 — CID 71196361

IUPAC(2R,3Z)-5-[(Z)-3-amino-2-methylprop-1-enyl]-6-methyl-3-(2-methylbutylidene)-2,6-dihydro-1H-pyridin-2-amine
SMILESCCC(C)/C=C1/C=C(/C=C(/C)CN)C(C)N[C@H]1N
InChIInChI=1S/C15H27N3/c1-5-10(2)6-14-8-13(7-11(3)9-16)12(4)18-15(14)17/h6-8,10,12,15,18H,5,9,16-17H2,1-4H3/b11-7-,14-6-/t10?,12?,15-/m1/s1
InChIKeyFNAMGJIXLPBERQ-XAZLSVTGSA-N
MW249.40 g/mol
LogP2.07
Rot. Bonds4

About (2R,3Z)-5-[(Z)-3-amino-2-methylprop-1-enyl]-6-methyl-3-(2-methylbutylidene)-2,6-dihydro-1H-pyridin-2-amine

(2R,3Z)-5-[(Z)-3-amino-2-methylprop-1-enyl]-6-methyl-3-(2-methylbutylidene)-2,6-dihydro-1H-pyridin-2-amine (PubChem CID 71196361) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is (2R,3Z)-5-[(Z)-3-amino-2-methylprop-1-enyl]-6-methyl-3-(2-methylbutylidene)-2,6-dihydro-1H-pyridin-2-amine.

Molecular Properties

Compound Name(2R,3Z)-5-[(Z)-3-amino-2-methylprop-1-enyl]-6-methyl-3-(2-methylbutylidene)-2,6-dihydro-1H-pyridin-2-amine
PubChem CID71196361
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name(2R,3Z)-5-[(Z)-3-amino-2-methylprop-1-enyl]-6-methyl-3-(2-methylbutylidene)-2,6-dihydro-1H-pyridin-2-amine
SMILESCCC(C)/C=C1/C=C(/C=C(/C)CN)C(C)N[C@H]1N
InChIInChI=1S/C15H27N3/c1-5-10(2)6-14-8-13(7-11(3)9-16)12(4)18-15(14)17/h6-8,10,12,15,18H,5,9,16-17H2,1-4H3/b11-7-,14-6-/t10?,12?,15-/m1/s1
InChIKeyFNAMGJIXLPBERQ-XAZLSVTGSA-N
XLogP2.07
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3Z)-5-[(Z)-3-amino-2-methylprop-1-enyl]-6-methyl-3-(2-methylbutylidene)-2,6-dihydro-1H-pyridin-2-amine?
The IUPAC name of (2R,3Z)-5-[(Z)-3-amino-2-methylprop-1-enyl]-6-methyl-3-(2-methylbutylidene)-2,6-dihydro-1H-pyridin-2-amine (CID 71196361) is (2R,3Z)-5-[(Z)-3-amino-2-methylprop-1-enyl]-6-methyl-3-(2-methylbutylidene)-2,6-dihydro-1H-pyridin-2-amine.
What is the SMILES notation for (2R,3Z)-5-[(Z)-3-amino-2-methylprop-1-enyl]-6-methyl-3-(2-methylbutylidene)-2,6-dihydro-1H-pyridin-2-amine?
The canonical SMILES for (2R,3Z)-5-[(Z)-3-amino-2-methylprop-1-enyl]-6-methyl-3-(2-methylbutylidene)-2,6-dihydro-1H-pyridin-2-amine is CCC(C)/C=C1/C=C(/C=C(/C)CN)C(C)N[C@H]1N.
What is the InChIKey of (2R,3Z)-5-[(Z)-3-amino-2-methylprop-1-enyl]-6-methyl-3-(2-methylbutylidene)-2,6-dihydro-1H-pyridin-2-amine?
The InChIKey is FNAMGJIXLPBERQ-XAZLSVTGSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-10(2)6-14-8-13(7-11(3)9-16)12(4)18-15(14)17/h6-8,10,12,15,18H,5,9,16-17H2,1-4H3/b11-7-,14-6-/t10?,12?,15-/m1/s1.
What are the key properties of (2R,3Z)-5-[(Z)-3-amino-2-methylprop-1-enyl]-6-methyl-3-(2-methylbutylidene)-2,6-dihydro-1H-pyridin-2-amine?
(2R,3Z)-5-[(Z)-3-amino-2-methylprop-1-enyl]-6-methyl-3-(2-methylbutylidene)-2,6-dihydro-1H-pyridin-2-amine has a molecular weight of 249.40 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3Z)-5-[(Z)-3-amino-2-methylprop-1-enyl]-6-methyl-3-(2-methylbutylidene)-2,6-dihydro-1H-pyridin-2-amine is sourced from PubChem (CID 71196361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).