4-(2-methylpropyl)-3-[(Z)-prop-1-enyl]pyridin-2-amine

C12H18N2 — CID 163390131

IUPAC4-(2-methylpropyl)-3-[(Z)-prop-1-enyl]pyridin-2-amine
SMILESC/C=C\c1c(CC(C)C)ccnc1N
InChIInChI=1S/C12H18N2/c1-4-5-11-10(8-9(2)3)6-7-14-12(11)13/h4-7,9H,8H2,1-3H3,(H2,13,14)/b5-4-
InChIKeyUIVQLZHRXWJFAO-PLNGDYQASA-N
MW190.29 g/mol
LogP2.90
Rot. Bonds3

About 4-(2-methylpropyl)-3-[(Z)-prop-1-enyl]pyridin-2-amine

4-(2-methylpropyl)-3-[(Z)-prop-1-enyl]pyridin-2-amine (PubChem CID 163390131) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-(2-methylpropyl)-3-[(Z)-prop-1-enyl]pyridin-2-amine.

Molecular Properties

Compound Name4-(2-methylpropyl)-3-[(Z)-prop-1-enyl]pyridin-2-amine
PubChem CID163390131
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name4-(2-methylpropyl)-3-[(Z)-prop-1-enyl]pyridin-2-amine
SMILESC/C=C\c1c(CC(C)C)ccnc1N
InChIInChI=1S/C12H18N2/c1-4-5-11-10(8-9(2)3)6-7-14-12(11)13/h4-7,9H,8H2,1-3H3,(H2,13,14)/b5-4-
InChIKeyUIVQLZHRXWJFAO-PLNGDYQASA-N
XLogP2.90
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-3-[(Z)-prop-1-enyl]pyridin-2-amine?
The IUPAC name of 4-(2-methylpropyl)-3-[(Z)-prop-1-enyl]pyridin-2-amine (CID 163390131) is 4-(2-methylpropyl)-3-[(Z)-prop-1-enyl]pyridin-2-amine.
What is the SMILES notation for 4-(2-methylpropyl)-3-[(Z)-prop-1-enyl]pyridin-2-amine?
The canonical SMILES for 4-(2-methylpropyl)-3-[(Z)-prop-1-enyl]pyridin-2-amine is C/C=C\c1c(CC(C)C)ccnc1N.
What is the InChIKey of 4-(2-methylpropyl)-3-[(Z)-prop-1-enyl]pyridin-2-amine?
The InChIKey is UIVQLZHRXWJFAO-PLNGDYQASA-N. The full InChI is InChI=1S/C12H18N2/c1-4-5-11-10(8-9(2)3)6-7-14-12(11)13/h4-7,9H,8H2,1-3H3,(H2,13,14)/b5-4-.
What are the key properties of 4-(2-methylpropyl)-3-[(Z)-prop-1-enyl]pyridin-2-amine?
4-(2-methylpropyl)-3-[(Z)-prop-1-enyl]pyridin-2-amine has a molecular weight of 190.29 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-3-[(Z)-prop-1-enyl]pyridin-2-amine is sourced from PubChem (CID 163390131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).