4-(1-propan-2-yl-2H-pyridin-5-yl)but-3-en-1-amine

C12H20N2 — CID 57127600

IUPAC4-(1-propan-2-yl-2H-pyridin-5-yl)but-3-en-1-amine
SMILESCC(C)N1C=C(C=CCCN)C=CC1
InChIInChI=1S/C12H20N2/c1-11(2)14-9-5-7-12(10-14)6-3-4-8-13/h3,5-7,10-11H,4,8-9,13H2,1-2H3
InChIKeyZDNBXNIBCNIOGP-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.06
Rot. Bonds4

About 4-(1-propan-2-yl-2H-pyridin-5-yl)but-3-en-1-amine

4-(1-propan-2-yl-2H-pyridin-5-yl)but-3-en-1-amine (PubChem CID 57127600) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 4-(1-propan-2-yl-2H-pyridin-5-yl)but-3-en-1-amine.

Molecular Properties

Compound Name4-(1-propan-2-yl-2H-pyridin-5-yl)but-3-en-1-amine
PubChem CID57127600
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name4-(1-propan-2-yl-2H-pyridin-5-yl)but-3-en-1-amine
SMILESCC(C)N1C=C(C=CCCN)C=CC1
InChIInChI=1S/C12H20N2/c1-11(2)14-9-5-7-12(10-14)6-3-4-8-13/h3,5-7,10-11H,4,8-9,13H2,1-2H3
InChIKeyZDNBXNIBCNIOGP-UHFFFAOYSA-N
XLogP2.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-propan-2-yl-2H-pyridin-5-yl)but-3-en-1-amine?
The IUPAC name of 4-(1-propan-2-yl-2H-pyridin-5-yl)but-3-en-1-amine (CID 57127600) is 4-(1-propan-2-yl-2H-pyridin-5-yl)but-3-en-1-amine.
What is the SMILES notation for 4-(1-propan-2-yl-2H-pyridin-5-yl)but-3-en-1-amine?
The canonical SMILES for 4-(1-propan-2-yl-2H-pyridin-5-yl)but-3-en-1-amine is CC(C)N1C=C(C=CCCN)C=CC1.
What is the InChIKey of 4-(1-propan-2-yl-2H-pyridin-5-yl)but-3-en-1-amine?
The InChIKey is ZDNBXNIBCNIOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-11(2)14-9-5-7-12(10-14)6-3-4-8-13/h3,5-7,10-11H,4,8-9,13H2,1-2H3.
What are the key properties of 4-(1-propan-2-yl-2H-pyridin-5-yl)but-3-en-1-amine?
4-(1-propan-2-yl-2H-pyridin-5-yl)but-3-en-1-amine has a molecular weight of 192.31 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-propan-2-yl-2H-pyridin-5-yl)but-3-en-1-amine is sourced from PubChem (CID 57127600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).