4-[2-methyl-5-(propylamino)pent-2-enyl]pyridin-2-amine

C14H23N3 — CID 79599107

IUPAC4-[2-methyl-5-(propylamino)pent-2-enyl]pyridin-2-amine
SMILESCCCNCCC=C(C)Cc1ccnc(N)c1
InChIInChI=1S/C14H23N3/c1-3-7-16-8-4-5-12(2)10-13-6-9-17-14(15)11-13/h5-6,9,11,16H,3-4,7-8,10H2,1-2H3,(H2,15,17)
InChIKeyBEMHHOZDKHNURI-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.54
Rot. Bonds7

About 4-[2-methyl-5-(propylamino)pent-2-enyl]pyridin-2-amine

4-[2-methyl-5-(propylamino)pent-2-enyl]pyridin-2-amine (PubChem CID 79599107) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-[2-methyl-5-(propylamino)pent-2-enyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[2-methyl-5-(propylamino)pent-2-enyl]pyridin-2-amine
PubChem CID79599107
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name4-[2-methyl-5-(propylamino)pent-2-enyl]pyridin-2-amine
SMILESCCCNCCC=C(C)Cc1ccnc(N)c1
InChIInChI=1S/C14H23N3/c1-3-7-16-8-4-5-12(2)10-13-6-9-17-14(15)11-13/h5-6,9,11,16H,3-4,7-8,10H2,1-2H3,(H2,15,17)
InChIKeyBEMHHOZDKHNURI-UHFFFAOYSA-N
XLogP2.54
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.54
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

4-[5-(ethylamino)-2-methylpent-2-enyl]pyridin-2-amine
CID 79598454
4-[5-(2-methoxyethylamino)-2-methylpent-2-enyl]pyridin-2-amine
CID 79607063
4-[2-methyl-5-(propan-2-ylamino)pent-2-enyl]pyridin-2-amine
CID 79598485
1-(2-amino-4-pyridinyl)-3-(propylamino)propan-2-one
CID 116562828
(Z)-5-(3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine
CID 79599377
5-(3-fluoro-4-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine
CID 79598736
4-methyl-5-(2-methylphenyl)-N-propylpent-3-en-1-amine
CID 79599626
3-[5-(ethylamino)-2-methylpent-2-enyl]pyridin-2-amine
CID 79599485
N-(2-methoxyethyl)-4-methyl-5-pyridin-4-ylpent-3-en-1-amine
CID 79606913
(Z)-4-methyl-5-(1-methylpyrazol-3-yl)-N-propylpent-3-en-1-amine
CID 82881878
5-(2-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine
CID 79598739
5-(2-methoxy-5-methylphenyl)-4-methyl-N-propylpent-3-en-1-amine
CID 79598208

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-5-(propylamino)pent-2-enyl]pyridin-2-amine?
The IUPAC name of 4-[2-methyl-5-(propylamino)pent-2-enyl]pyridin-2-amine (CID 79599107) is 4-[2-methyl-5-(propylamino)pent-2-enyl]pyridin-2-amine.
What is the SMILES notation for 4-[2-methyl-5-(propylamino)pent-2-enyl]pyridin-2-amine?
The canonical SMILES for 4-[2-methyl-5-(propylamino)pent-2-enyl]pyridin-2-amine is CCCNCCC=C(C)Cc1ccnc(N)c1.
What is the InChIKey of 4-[2-methyl-5-(propylamino)pent-2-enyl]pyridin-2-amine?
The InChIKey is BEMHHOZDKHNURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-3-7-16-8-4-5-12(2)10-13-6-9-17-14(15)11-13/h5-6,9,11,16H,3-4,7-8,10H2,1-2H3,(H2,15,17).
What are the key properties of 4-[2-methyl-5-(propylamino)pent-2-enyl]pyridin-2-amine?
4-[2-methyl-5-(propylamino)pent-2-enyl]pyridin-2-amine has a molecular weight of 233.36 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-5-(propylamino)pent-2-enyl]pyridin-2-amine is sourced from PubChem (CID 79599107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).