N-[2-(1,2-dihydropyridin-6-ylmethylamino)ethyl]-N'-(piperidin-2-ylmethyl)ethane-1,2-diamine

C16H31N5 — CID 6396326

IUPACN-[2-(1,2-dihydropyridin-6-ylmethylamino)ethyl]-N'-(piperidin-2-ylmethyl)ethane-1,2-diamine
SMILESC1=CCNC(CNCCNCCNCC2CCCCN2)=C1
InChIInChI=1S/C16H31N5/c1-3-7-20-15(5-1)13-18-11-9-17-10-12-19-14-16-6-2-4-8-21-16/h1,3,5,16-21H,2,4,6-14H2
InChIKeyOOYSFESQLIEFGO-UHFFFAOYSA-N
MW293.46 g/mol
LogP-0.06
Rot. Bonds10

About N-[2-(1,2-dihydropyridin-6-ylmethylamino)ethyl]-N'-(piperidin-2-ylmethyl)ethane-1,2-diamine

N-[2-(1,2-dihydropyridin-6-ylmethylamino)ethyl]-N'-(piperidin-2-ylmethyl)ethane-1,2-diamine (PubChem CID 6396326) has the molecular formula C16H31N5 and a molecular weight of 293.46 g/mol. Its IUPAC name is N-[2-(1,2-dihydropyridin-6-ylmethylamino)ethyl]-N'-(piperidin-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(1,2-dihydropyridin-6-ylmethylamino)ethyl]-N'-(piperidin-2-ylmethyl)ethane-1,2-diamine
PubChem CID6396326
Molecular FormulaC16H31N5
Molecular Weight293.46 g/mol
Exact Mass293.26
IUPAC NameN-[2-(1,2-dihydropyridin-6-ylmethylamino)ethyl]-N'-(piperidin-2-ylmethyl)ethane-1,2-diamine
SMILESC1=CCNC(CNCCNCCNCC2CCCCN2)=C1
InChIInChI=1S/C16H31N5/c1-3-7-20-15(5-1)13-18-11-9-17-10-12-19-14-16-6-2-4-8-21-16/h1,3,5,16-21H,2,4,6-14H2
InChIKeyOOYSFESQLIEFGO-UHFFFAOYSA-N
XLogP-0.06
TPSA60.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 5-0.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine
CID 95731898
6-[2-(4-methylcyclohexyl)-3-piperidin-2-ylpropyl]-1,2-dihydropyridine
CID 5247287
2-cyclohexyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106633611
3-(piperidin-2-ylmethylamino)propan-1-ol
CID 106633028
2-[(pyrrolidin-2-ylmethylamino)methyl]phenol
CID 103846509
N-(naphthalen-1-ylmethyl)-1-piperidin-2-ylmethanamine
CID 106633869
N'-fluoro-N-(piperidin-2-ylmethyl)butane-1,4-diamine
CID 174304939
4-methoxy-N-(piperidin-2-ylmethyl)butan-1-amine
CID 106633816
2-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106632818
N-(1,2-oxazol-5-ylmethyl)-1-piperidin-2-ylmethanamine
CID 106415135
N-[(3-chloropyrazin-2-yl)methyl]-1-[(2S)-piperidin-2-yl]methanamine
CID 97163969
N-(piperidin-2-ylmethyl)ethanamine
CID 11970483

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2-dihydropyridin-6-ylmethylamino)ethyl]-N'-(piperidin-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-[2-(1,2-dihydropyridin-6-ylmethylamino)ethyl]-N'-(piperidin-2-ylmethyl)ethane-1,2-diamine (CID 6396326) is N-[2-(1,2-dihydropyridin-6-ylmethylamino)ethyl]-N'-(piperidin-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-[2-(1,2-dihydropyridin-6-ylmethylamino)ethyl]-N'-(piperidin-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-[2-(1,2-dihydropyridin-6-ylmethylamino)ethyl]-N'-(piperidin-2-ylmethyl)ethane-1,2-diamine is C1=CCNC(CNCCNCCNCC2CCCCN2)=C1.
What is the InChIKey of N-[2-(1,2-dihydropyridin-6-ylmethylamino)ethyl]-N'-(piperidin-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is OOYSFESQLIEFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5/c1-3-7-20-15(5-1)13-18-11-9-17-10-12-19-14-16-6-2-4-8-21-16/h1,3,5,16-21H,2,4,6-14H2.
What are the key properties of N-[2-(1,2-dihydropyridin-6-ylmethylamino)ethyl]-N'-(piperidin-2-ylmethyl)ethane-1,2-diamine?
N-[2-(1,2-dihydropyridin-6-ylmethylamino)ethyl]-N'-(piperidin-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 293.46 g/mol, XLogP of -0.06, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2-dihydropyridin-6-ylmethylamino)ethyl]-N'-(piperidin-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 6396326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).