5-chloro-3-[5-(2-methylpropylamino)pent-2-en-2-yl]pyridin-2-amine

C14H22ClN3 — CID 79606820

IUPAC5-chloro-3-[5-(2-methylpropylamino)pent-2-en-2-yl]pyridin-2-amine
SMILESCC(=CCCNCC(C)C)c1cc(Cl)cnc1N
InChIInChI=1S/C14H22ClN3/c1-10(2)8-17-6-4-5-11(3)13-7-12(15)9-18-14(13)16/h5,7,9-10,17H,4,6,8H2,1-3H3,(H2,16,18)
InChIKeyIRRKOBNFLUAPJD-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.36
Rot. Bonds6

About 5-chloro-3-[5-(2-methylpropylamino)pent-2-en-2-yl]pyridin-2-amine

5-chloro-3-[5-(2-methylpropylamino)pent-2-en-2-yl]pyridin-2-amine (PubChem CID 79606820) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is 5-chloro-3-[5-(2-methylpropylamino)pent-2-en-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-[5-(2-methylpropylamino)pent-2-en-2-yl]pyridin-2-amine
PubChem CID79606820
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name5-chloro-3-[5-(2-methylpropylamino)pent-2-en-2-yl]pyridin-2-amine
SMILESCC(=CCCNCC(C)C)c1cc(Cl)cnc1N
InChIInChI=1S/C14H22ClN3/c1-10(2)8-17-6-4-5-11(3)13-7-12(15)9-18-14(13)16/h5,7,9-10,17H,4,6,8H2,1-3H3,(H2,16,18)
InChIKeyIRRKOBNFLUAPJD-UHFFFAOYSA-N
XLogP3.36
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[5-(2-methylpropylamino)pent-2-en-2-yl]pyridin-2-amine?
The IUPAC name of 5-chloro-3-[5-(2-methylpropylamino)pent-2-en-2-yl]pyridin-2-amine (CID 79606820) is 5-chloro-3-[5-(2-methylpropylamino)pent-2-en-2-yl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-[5-(2-methylpropylamino)pent-2-en-2-yl]pyridin-2-amine?
The canonical SMILES for 5-chloro-3-[5-(2-methylpropylamino)pent-2-en-2-yl]pyridin-2-amine is CC(=CCCNCC(C)C)c1cc(Cl)cnc1N.
What is the InChIKey of 5-chloro-3-[5-(2-methylpropylamino)pent-2-en-2-yl]pyridin-2-amine?
The InChIKey is IRRKOBNFLUAPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-10(2)8-17-6-4-5-11(3)13-7-12(15)9-18-14(13)16/h5,7,9-10,17H,4,6,8H2,1-3H3,(H2,16,18).
What are the key properties of 5-chloro-3-[5-(2-methylpropylamino)pent-2-en-2-yl]pyridin-2-amine?
5-chloro-3-[5-(2-methylpropylamino)pent-2-en-2-yl]pyridin-2-amine has a molecular weight of 267.80 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[5-(2-methylpropylamino)pent-2-en-2-yl]pyridin-2-amine is sourced from PubChem (CID 79606820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).