N'-quinolin-5-ylethane-1,2-diamine

C11H13N3 — CID 81217065

IUPACN'-quinolin-5-ylethane-1,2-diamine
SMILESNCCNc1cccc2ncccc12
InChIInChI=1S/C11H13N3/c12-6-8-14-11-5-1-4-10-9(11)3-2-7-13-10/h1-5,7,14H,6,8,12H2
InChIKeyLCXPCAMYJIITAY-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.61
Rot. Bonds3

About N'-quinolin-5-ylethane-1,2-diamine

N'-quinolin-5-ylethane-1,2-diamine (PubChem CID 81217065) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is N'-quinolin-5-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-quinolin-5-ylethane-1,2-diamine
PubChem CID81217065
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC NameN'-quinolin-5-ylethane-1,2-diamine
SMILESNCCNc1cccc2ncccc12
InChIInChI=1S/C11H13N3/c12-6-8-14-11-5-1-4-10-9(11)3-2-7-13-10/h1-5,7,14H,6,8,12H2
InChIKeyLCXPCAMYJIITAY-UHFFFAOYSA-N
XLogP1.61
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethylbutyl)quinolin-5-amine
CID 62965995
N-(2,2-dimethylpropyl)quinolin-5-amine
CID 61326156
N'-quinolin-4-ylpentane-1,5-diamine
CID 107323516
6-(2-aminoethylamino)quinoline-5-carbonitrile
CID 23188461
N-(cyclopropylmethyl)quinolin-5-amine
CID 43654866
N-but-2-enylquinolin-5-amine
CID 139612149
3-[(quinolin-5-ylamino)methyl]benzene-1,2-diol
CID 61317236
N-methyl-N'-quinolin-4-ylethane-1,2-diamine
CID 62658935
quinolin-5-ylthiourea
CID 1471601
N-[(6-methyl-3-pyridinyl)methyl]quinolin-5-amine
CID 104756560
N-(1,3-thiazol-5-ylmethyl)quinolin-5-amine
CID 62758841
N-[(2-bromo-5-chlorophenyl)methyl]quinolin-5-amine
CID 66161429

Frequently Asked Questions

What is the IUPAC name of N'-quinolin-5-ylethane-1,2-diamine?
The IUPAC name of N'-quinolin-5-ylethane-1,2-diamine (CID 81217065) is N'-quinolin-5-ylethane-1,2-diamine.
What is the SMILES notation for N'-quinolin-5-ylethane-1,2-diamine?
The canonical SMILES for N'-quinolin-5-ylethane-1,2-diamine is NCCNc1cccc2ncccc12.
What is the InChIKey of N'-quinolin-5-ylethane-1,2-diamine?
The InChIKey is LCXPCAMYJIITAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c12-6-8-14-11-5-1-4-10-9(11)3-2-7-13-10/h1-5,7,14H,6,8,12H2.
What are the key properties of N'-quinolin-5-ylethane-1,2-diamine?
N'-quinolin-5-ylethane-1,2-diamine has a molecular weight of 187.25 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-quinolin-5-ylethane-1,2-diamine is sourced from PubChem (CID 81217065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).