N-(2-cyclobutylethyl)-1-(4-methyl-3-pyridinyl)ethane-1,2-diamine

C14H23N3 — CID 113478720

IUPACN-(2-cyclobutylethyl)-1-(4-methyl-3-pyridinyl)ethane-1,2-diamine
SMILESCc1ccncc1C(CN)NCCC1CCC1
InChIInChI=1S/C14H23N3/c1-11-5-7-16-10-13(11)14(9-15)17-8-6-12-3-2-4-12/h5,7,10,12,14,17H,2-4,6,8-9,15H2,1H3
InChIKeyANNNOSOJQYGDJP-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.17
Rot. Bonds6

About N-(2-cyclobutylethyl)-1-(4-methyl-3-pyridinyl)ethane-1,2-diamine

N-(2-cyclobutylethyl)-1-(4-methyl-3-pyridinyl)ethane-1,2-diamine (PubChem CID 113478720) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-(2-cyclobutylethyl)-1-(4-methyl-3-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-cyclobutylethyl)-1-(4-methyl-3-pyridinyl)ethane-1,2-diamine
PubChem CID113478720
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-(2-cyclobutylethyl)-1-(4-methyl-3-pyridinyl)ethane-1,2-diamine
SMILESCc1ccncc1C(CN)NCCC1CCC1
InChIInChI=1S/C14H23N3/c1-11-5-7-16-10-13(11)14(9-15)17-8-6-12-3-2-4-12/h5,7,10,12,14,17H,2-4,6,8-9,15H2,1H3
InChIKeyANNNOSOJQYGDJP-UHFFFAOYSA-N
XLogP2.17
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2-methylphenyl)-N-(2-cyclobutylethyl)ethane-1,2-diamine
CID 114075596
N-(2-cyclobutylethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
CID 113478717
N-(2-cyclopropylethyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine
CID 79584820
2-cyclobutyl-1-(4-methyl-3-pyridinyl)ethanol
CID 114877786
N-(2-cyclobutylethyl)-1-(3-cyclopropylimidazol-4-yl)ethane-1,2-diamine
CID 113478732
1-(3-bromophenyl)-N-(2-cyclobutylethyl)ethane-1,2-diamine
CID 113478752
3-cyclopentyl-N-methyl-1-(3-methyl-4-pyridinyl)propan-1-amine
CID 114192227
N-(2-cyclobutylethyl)-1-pyrazin-2-ylethanamine
CID 115893473
[2-cyclopentyl-1-(3-methyl-4-pyridinyl)ethyl]hydrazine
CID 105261770
N-(2-cyclopropylethyl)-1-(2-cyclopropylphenyl)ethane-1,2-diamine
CID 79982386
[(3-ethylcyclopentyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105233566
1-(5-bromo-2-chlorophenyl)-N-(2-cyclopropylethyl)ethane-1,2-diamine
CID 114076857

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutylethyl)-1-(4-methyl-3-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N-(2-cyclobutylethyl)-1-(4-methyl-3-pyridinyl)ethane-1,2-diamine (CID 113478720) is N-(2-cyclobutylethyl)-1-(4-methyl-3-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-cyclobutylethyl)-1-(4-methyl-3-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N-(2-cyclobutylethyl)-1-(4-methyl-3-pyridinyl)ethane-1,2-diamine is Cc1ccncc1C(CN)NCCC1CCC1.
What is the InChIKey of N-(2-cyclobutylethyl)-1-(4-methyl-3-pyridinyl)ethane-1,2-diamine?
The InChIKey is ANNNOSOJQYGDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-11-5-7-16-10-13(11)14(9-15)17-8-6-12-3-2-4-12/h5,7,10,12,14,17H,2-4,6,8-9,15H2,1H3.
What are the key properties of N-(2-cyclobutylethyl)-1-(4-methyl-3-pyridinyl)ethane-1,2-diamine?
N-(2-cyclobutylethyl)-1-(4-methyl-3-pyridinyl)ethane-1,2-diamine has a molecular weight of 233.36 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutylethyl)-1-(4-methyl-3-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 113478720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).