3-[2-methyl-5-(2-methylpropylamino)pent-2-enyl]pyridin-2-amine

C15H25N3 — CID 79606813

IUPAC3-[2-methyl-5-(2-methylpropylamino)pent-2-enyl]pyridin-2-amine
SMILESCC(=CCCNCC(C)C)Cc1cccnc1N
InChIInChI=1S/C15H25N3/c1-12(2)11-17-8-4-6-13(3)10-14-7-5-9-18-15(14)16/h5-7,9,12,17H,4,8,10-11H2,1-3H3,(H2,16,18)
InChIKeyVNKBYVXCPQRZTL-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.79
Rot. Bonds7

About 3-[2-methyl-5-(2-methylpropylamino)pent-2-enyl]pyridin-2-amine

3-[2-methyl-5-(2-methylpropylamino)pent-2-enyl]pyridin-2-amine (PubChem CID 79606813) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 3-[2-methyl-5-(2-methylpropylamino)pent-2-enyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[2-methyl-5-(2-methylpropylamino)pent-2-enyl]pyridin-2-amine
PubChem CID79606813
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name3-[2-methyl-5-(2-methylpropylamino)pent-2-enyl]pyridin-2-amine
SMILESCC(=CCCNCC(C)C)Cc1cccnc1N
InChIInChI=1S/C15H25N3/c1-12(2)11-17-8-4-6-13(3)10-14-7-5-9-18-15(14)16/h5-7,9,12,17H,4,8,10-11H2,1-3H3,(H2,16,18)
InChIKeyVNKBYVXCPQRZTL-UHFFFAOYSA-N
XLogP2.79
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[5-(ethylamino)-2-methylpent-2-enyl]pyridin-2-amine
CID 79599485
5-(4-ethylphenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
CID 79607637
5-(3-chlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
CID 79607300
(Z)-5-(5-chloro-2-fluorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
CID 103051630
3-(2-methylpropyl)pyridin-2-amine
CID 20771927
N-(2-methylpropyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)pent-3-en-1-amine
CID 79738717
5-chloro-3-[5-(2-methylpropylamino)pent-2-en-2-yl]pyridin-2-amine
CID 79606820
4-methyl-N-(2-methylpropyl)-5-propan-2-yloxypent-3-en-1-amine
CID 79607218
3-[2-methyl-3-(methylamino)propyl]pyridin-2-amine
CID 64664973
4-amino-1-(2-amino-3-pyridinyl)-3-methylbutan-2-one
CID 116564663
2-[(2-amino-3-pyridinyl)methylamino]ethanol
CID 82668213
6-ethyl-4-methyl-N-(2-methylpropyl)oct-3-en-1-amine
CID 82935709

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-5-(2-methylpropylamino)pent-2-enyl]pyridin-2-amine?
The IUPAC name of 3-[2-methyl-5-(2-methylpropylamino)pent-2-enyl]pyridin-2-amine (CID 79606813) is 3-[2-methyl-5-(2-methylpropylamino)pent-2-enyl]pyridin-2-amine.
What is the SMILES notation for 3-[2-methyl-5-(2-methylpropylamino)pent-2-enyl]pyridin-2-amine?
The canonical SMILES for 3-[2-methyl-5-(2-methylpropylamino)pent-2-enyl]pyridin-2-amine is CC(=CCCNCC(C)C)Cc1cccnc1N.
What is the InChIKey of 3-[2-methyl-5-(2-methylpropylamino)pent-2-enyl]pyridin-2-amine?
The InChIKey is VNKBYVXCPQRZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-12(2)11-17-8-4-6-13(3)10-14-7-5-9-18-15(14)16/h5-7,9,12,17H,4,8,10-11H2,1-3H3,(H2,16,18).
What are the key properties of 3-[2-methyl-5-(2-methylpropylamino)pent-2-enyl]pyridin-2-amine?
3-[2-methyl-5-(2-methylpropylamino)pent-2-enyl]pyridin-2-amine has a molecular weight of 247.39 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-5-(2-methylpropylamino)pent-2-enyl]pyridin-2-amine is sourced from PubChem (CID 79606813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).