N,N'-bis(2,3,4,5-tetrahydropyridin-6-yl)ethyne-1,2-diamine

C12H18N4 — CID 90936477

IUPACN,N'-bis(2,3,4,5-tetrahydropyridin-6-yl)ethyne-1,2-diamine
SMILESC(#CNC1=NCCCC1)NC1=NCCCC1
InChIInChI=1S/C12H18N4/c1-3-7-13-11(5-1)15-9-10-16-12-6-2-4-8-14-12/h1-8H2,(H,13,15)(H,14,16)
InChIKeyYDRVEMXZANJGPI-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.25
Rot. Bonds

About N,N'-bis(2,3,4,5-tetrahydropyridin-6-yl)ethyne-1,2-diamine

N,N'-bis(2,3,4,5-tetrahydropyridin-6-yl)ethyne-1,2-diamine (PubChem CID 90936477) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is N,N'-bis(2,3,4,5-tetrahydropyridin-6-yl)ethyne-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(2,3,4,5-tetrahydropyridin-6-yl)ethyne-1,2-diamine
PubChem CID90936477
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC NameN,N'-bis(2,3,4,5-tetrahydropyridin-6-yl)ethyne-1,2-diamine
SMILESC(#CNC1=NCCCC1)NC1=NCCCC1
InChIInChI=1S/C12H18N4/c1-3-7-13-11(5-1)15-9-10-16-12-6-2-4-8-14-12/h1-8H2,(H,13,15)(H,14,16)
InChIKeyYDRVEMXZANJGPI-UHFFFAOYSA-N
XLogP1.25
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(iodomethyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 135291577
1,1-dimethyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine
CID 2323749
N-piperidin-1-yl-2,3,4,5-tetrahydropyridin-6-amine
CID 83014587
N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)acetamide
CID 2313026
N-(3,4-dihydro-2H-pyrrol-5-yl)hydroxylamine
CID 1201479
3,4-dihydro-2H-pyrrol-5-ylhydrazine
CID 12872902
N-cyclohexyl-2,3,4,5-tetrahydropyridin-6-amine;hydroiodide
CID 18428450
N-(2-chloroethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride
CID 71308035
N',N'-dimethyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine
CID 79508863
2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)acetic acid;hydrochloride
CID 171336518
4-(2,3,4,5-tetrahydropyridin-6-ylamino)phenol
CID 115018233
N-(4-methylpentan-2-yl)-2,3,4,5-tetrahydropyridin-6-amine
CID 79508440

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,3,4,5-tetrahydropyridin-6-yl)ethyne-1,2-diamine?
The IUPAC name of N,N'-bis(2,3,4,5-tetrahydropyridin-6-yl)ethyne-1,2-diamine (CID 90936477) is N,N'-bis(2,3,4,5-tetrahydropyridin-6-yl)ethyne-1,2-diamine.
What is the SMILES notation for N,N'-bis(2,3,4,5-tetrahydropyridin-6-yl)ethyne-1,2-diamine?
The canonical SMILES for N,N'-bis(2,3,4,5-tetrahydropyridin-6-yl)ethyne-1,2-diamine is C(#CNC1=NCCCC1)NC1=NCCCC1.
What is the InChIKey of N,N'-bis(2,3,4,5-tetrahydropyridin-6-yl)ethyne-1,2-diamine?
The InChIKey is YDRVEMXZANJGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-3-7-13-11(5-1)15-9-10-16-12-6-2-4-8-14-12/h1-8H2,(H,13,15)(H,14,16).
What are the key properties of N,N'-bis(2,3,4,5-tetrahydropyridin-6-yl)ethyne-1,2-diamine?
N,N'-bis(2,3,4,5-tetrahydropyridin-6-yl)ethyne-1,2-diamine has a molecular weight of 218.30 g/mol, XLogP of 1.25, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,3,4,5-tetrahydropyridin-6-yl)ethyne-1,2-diamine is sourced from PubChem (CID 90936477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).