4-N-hex-5-ynylpyridine-3,4-diamine

C11H15N3 — CID 106215733

IUPAC4-N-hex-5-ynylpyridine-3,4-diamine
SMILESC#CCCCCNc1ccncc1N
InChIInChI=1S/C11H15N3/c1-2-3-4-5-7-14-11-6-8-13-9-10(11)12/h1,6,8-9H,3-5,7,12H2,(H,13,14)
InChIKeyQVFCPDVHRFTHEJ-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.88
Rot. Bonds5

About 4-N-hex-5-ynylpyridine-3,4-diamine

4-N-hex-5-ynylpyridine-3,4-diamine (PubChem CID 106215733) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 4-N-hex-5-ynylpyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-hex-5-ynylpyridine-3,4-diamine
PubChem CID106215733
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name4-N-hex-5-ynylpyridine-3,4-diamine
SMILESC#CCCCCNc1ccncc1N
InChIInChI=1S/C11H15N3/c1-2-3-4-5-7-14-11-6-8-13-9-10(11)12/h1,6,8-9H,3-5,7,12H2,(H,13,14)
InChIKeyQVFCPDVHRFTHEJ-UHFFFAOYSA-N
XLogP1.88
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-hex-5-ynylpyridin-4-amine
CID 103757339
5-[(3-amino-4-pyridinyl)amino]pentanamide
CID 106233945
2-N-pent-4-ynylbenzene-1,2-diamine
CID 175575608
4-N-(2-pyridin-2-ylethyl)pyridine-3,4-diamine
CID 28902053
4-[(3-amino-4-pyridinyl)amino]butan-2-ol
CID 64928058
4-N-(2-phenylsulfanylethyl)pyridine-3,4-diamine
CID 114051759
3-N-hex-5-ynylpyridazine-3,6-diamine
CID 106215719
2-N-hex-5-ynyl-4-methylpyridine-2,3-diamine
CID 106215731
4-N-(cyclopropylmethyl)pyridine-3,4-diamine
CID 28902438
4-N-(2-phenylmethoxyethyl)pyridine-3,4-diamine
CID 70319310
N'-(3-bromo-4-pyridinyl)butane-1,4-diamine
CID 104776649
4-[2-[(3-amino-4-pyridinyl)amino]ethyl]benzene-1,2-diol;dihydrobromide
CID 3031525

Frequently Asked Questions

What is the IUPAC name of 4-N-hex-5-ynylpyridine-3,4-diamine?
The IUPAC name of 4-N-hex-5-ynylpyridine-3,4-diamine (CID 106215733) is 4-N-hex-5-ynylpyridine-3,4-diamine.
What is the SMILES notation for 4-N-hex-5-ynylpyridine-3,4-diamine?
The canonical SMILES for 4-N-hex-5-ynylpyridine-3,4-diamine is C#CCCCCNc1ccncc1N.
What is the InChIKey of 4-N-hex-5-ynylpyridine-3,4-diamine?
The InChIKey is QVFCPDVHRFTHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-2-3-4-5-7-14-11-6-8-13-9-10(11)12/h1,6,8-9H,3-5,7,12H2,(H,13,14).
What are the key properties of 4-N-hex-5-ynylpyridine-3,4-diamine?
4-N-hex-5-ynylpyridine-3,4-diamine has a molecular weight of 189.26 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-hex-5-ynylpyridine-3,4-diamine is sourced from PubChem (CID 106215733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).