N-cinnolin-4-yl-1-cyclopentylethane-1,2-diamine

C15H20N4 — CID 106738352

IUPACN-cinnolin-4-yl-1-cyclopentylethane-1,2-diamine
SMILESNCC(Nc1cnnc2ccccc12)C1CCCC1
InChIInChI=1S/C15H20N4/c16-9-14(11-5-1-2-6-11)18-15-10-17-19-13-8-4-3-7-12(13)15/h3-4,7-8,10-11,14H,1-2,5-6,9,16H2,(H,18,19)
InChIKeyDKYYKCQTVFAAJV-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.56
Rot. Bonds4

About N-cinnolin-4-yl-1-cyclopentylethane-1,2-diamine

N-cinnolin-4-yl-1-cyclopentylethane-1,2-diamine (PubChem CID 106738352) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-cinnolin-4-yl-1-cyclopentylethane-1,2-diamine.

Molecular Properties

Compound NameN-cinnolin-4-yl-1-cyclopentylethane-1,2-diamine
PubChem CID106738352
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-cinnolin-4-yl-1-cyclopentylethane-1,2-diamine
SMILESNCC(Nc1cnnc2ccccc12)C1CCCC1
InChIInChI=1S/C15H20N4/c16-9-14(11-5-1-2-6-11)18-15-10-17-19-13-8-4-3-7-12(13)15/h3-4,7-8,10-11,14H,1-2,5-6,9,16H2,(H,18,19)
InChIKeyDKYYKCQTVFAAJV-UHFFFAOYSA-N
XLogP2.56
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cinnolin-4-ylamino)-2-cyclohexylacetic acid
CID 63586197
N-propan-2-ylcinnolin-4-amine
CID 39733520
N-(2-bromophenyl)-1-cyclopentylethane-1,2-diamine
CID 65385964
1-cyclopentyl-N-phenylethane-1,2-diamine
CID 65380108
2-(cinnolin-4-ylamino)-1-cyclopropylethanol
CID 63586399
1-cyclopentyl-N-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 106738164
cinnolin-4-ylhydrazine
CID 39733519
3-N-cinnolin-4-yl-1-N,1-N-dimethylbutane-1,3-diamine
CID 55215132
N-(1,3-benzoxazol-2-yl)-1-cyclohexylethane-1,2-diamine
CID 115309571
2-[(2-amino-1-cyclohexylethyl)amino]-6-fluorobenzamide
CID 115309592
1-cyclopentyl-N-(2-nitrophenyl)ethane-1,2-diamine
CID 106738241
N'-cinnolin-4-yl-N-cyclopropylpropane-1,3-diamine
CID 63586034

Frequently Asked Questions

What is the IUPAC name of N-cinnolin-4-yl-1-cyclopentylethane-1,2-diamine?
The IUPAC name of N-cinnolin-4-yl-1-cyclopentylethane-1,2-diamine (CID 106738352) is N-cinnolin-4-yl-1-cyclopentylethane-1,2-diamine.
What is the SMILES notation for N-cinnolin-4-yl-1-cyclopentylethane-1,2-diamine?
The canonical SMILES for N-cinnolin-4-yl-1-cyclopentylethane-1,2-diamine is NCC(Nc1cnnc2ccccc12)C1CCCC1.
What is the InChIKey of N-cinnolin-4-yl-1-cyclopentylethane-1,2-diamine?
The InChIKey is DKYYKCQTVFAAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c16-9-14(11-5-1-2-6-11)18-15-10-17-19-13-8-4-3-7-12(13)15/h3-4,7-8,10-11,14H,1-2,5-6,9,16H2,(H,18,19).
What are the key properties of N-cinnolin-4-yl-1-cyclopentylethane-1,2-diamine?
N-cinnolin-4-yl-1-cyclopentylethane-1,2-diamine has a molecular weight of 256.35 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cinnolin-4-yl-1-cyclopentylethane-1,2-diamine is sourced from PubChem (CID 106738352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).