4-N-(2-aminoethyl)naphthalene-1,4-diamine

C12H15N3 — CID 146264180

IUPAC4-N-(2-aminoethyl)naphthalene-1,4-diamine
SMILESNCCNc1ccc(N)c2ccccc12
InChIInChI=1S/C12H15N3/c13-7-8-15-12-6-5-11(14)9-3-1-2-4-10(9)12/h1-6,15H,7-8,13-14H2
InChIKeyKBTDGPAQXQLTJM-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.79
Rot. Bonds3

About 4-N-(2-aminoethyl)naphthalene-1,4-diamine

4-N-(2-aminoethyl)naphthalene-1,4-diamine (PubChem CID 146264180) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-N-(2-aminoethyl)naphthalene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-aminoethyl)naphthalene-1,4-diamine
PubChem CID146264180
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name4-N-(2-aminoethyl)naphthalene-1,4-diamine
SMILESNCCNc1ccc(N)c2ccccc12
InChIInChI=1S/C12H15N3/c13-7-8-15-12-6-5-11(14)9-3-1-2-4-10(9)12/h1-6,15H,7-8,13-14H2
InChIKeyKBTDGPAQXQLTJM-UHFFFAOYSA-N
XLogP1.79
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-N-(2-aminoethyl)isoquinoline-5,8-diamine
CID 103138118
N'-(4-phenyldiazenylnaphthalen-1-yl)ethane-1,2-diamine;hydrochloride
CID 117067404
2-N-(2-aminoethyl)benzene-1,2,4-triamine
CID 57040010
5-N-[2-(2-fluorophenyl)ethyl]quinoline-5,8-diamine
CID 43449441
N'-naphthalen-1-ylethane-1,2-diamine;bis(nitric acid)
CID 158525985
2-N-(2-aminoethyl)-4-methylbenzene-1,2-diamine
CID 23104425
N'-quinolin-5-ylethane-1,2-diamine
CID 81217065
8-N-(3-phenylpropyl)isoquinoline-5,8-diamine
CID 103137417
4-N-(2-aminoethyl)quinoline-3,4-diamine
CID 103963227
[5-(2-aminoethylamino)naphthalen-1-yl] hydrogen sulfate
CID 68549214
6-(2-aminoethylamino)-2-phenylbenzo[de]isoquinoline-1,3-dione
CID 11566147
4-aminobenzenesulfonic acid;N'-naphthalen-1-ylethane-1,2-diamine;hydrochloride
CID 175085232

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-aminoethyl)naphthalene-1,4-diamine?
The IUPAC name of 4-N-(2-aminoethyl)naphthalene-1,4-diamine (CID 146264180) is 4-N-(2-aminoethyl)naphthalene-1,4-diamine.
What is the SMILES notation for 4-N-(2-aminoethyl)naphthalene-1,4-diamine?
The canonical SMILES for 4-N-(2-aminoethyl)naphthalene-1,4-diamine is NCCNc1ccc(N)c2ccccc12.
What is the InChIKey of 4-N-(2-aminoethyl)naphthalene-1,4-diamine?
The InChIKey is KBTDGPAQXQLTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c13-7-8-15-12-6-5-11(14)9-3-1-2-4-10(9)12/h1-6,15H,7-8,13-14H2.
What are the key properties of 4-N-(2-aminoethyl)naphthalene-1,4-diamine?
4-N-(2-aminoethyl)naphthalene-1,4-diamine has a molecular weight of 201.27 g/mol, XLogP of 1.79, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-aminoethyl)naphthalene-1,4-diamine is sourced from PubChem (CID 146264180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).