N-dodecylquinolin-2-amine

C21H32N2 — CID 160510159

IUPACN-dodecylquinolin-2-amine
SMILESCCCCCCCCCCCCNc1ccc2ccccc2n1
InChIInChI=1S/C21H32N2/c1-2-3-4-5-6-7-8-9-10-13-18-22-21-17-16-19-14-11-12-15-20(19)23-21/h11-12,14-17H,2-10,13,18H2,1H3,(H,22,23)
InChIKeySDULHNRSSMNOFL-UHFFFAOYSA-N
MW312.50 g/mol
LogP6.57
Rot. Bonds12

About N-dodecylquinolin-2-amine

N-dodecylquinolin-2-amine (PubChem CID 160510159) has the molecular formula C21H32N2 and a molecular weight of 312.50 g/mol. Its IUPAC name is N-dodecylquinolin-2-amine.

Molecular Properties

Compound NameN-dodecylquinolin-2-amine
PubChem CID160510159
Molecular FormulaC21H32N2
Molecular Weight312.50 g/mol
Exact Mass312.26
IUPAC NameN-dodecylquinolin-2-amine
SMILESCCCCCCCCCCCCNc1ccc2ccccc2n1
InChIInChI=1S/C21H32N2/c1-2-3-4-5-6-7-8-9-10-13-18-22-21-17-16-19-14-11-12-15-20(19)23-21/h11-12,14-17H,2-10,13,18H2,1H3,(H,22,23)
InChIKeySDULHNRSSMNOFL-UHFFFAOYSA-N
XLogP6.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.50
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(quinolin-2-ylamino)propan-1-ol
CID 581988
N',N'-diethyl-N-quinolin-2-ylethane-1,2-diamine
CID 29034391
2-N,6-N-dipentylpyridine-2,6-diamine
CID 66709787
N-(quinolin-2-ylmethyl)hexan-1-amine
CID 60672947
N-(3-phenoxypropyl)quinolin-2-amine
CID 60678079
2-[2-hydroxyethyl-[3-(quinolin-2-ylamino)propyl]amino]ethanol
CID 21424676
1-N-quinolin-2-ylbutane-1,3-diamine
CID 63251635
N-cyclopropyl-N'-quinolin-2-ylpropane-1,3-diamine
CID 43599624
N-propyl-3-(quinolin-2-ylamino)propanamide
CID 61065980
N-quinolin-2-ylpentane-1-sulfonamide
CID 174846518
2-[3-(quinolin-2-ylamino)propoxy]ethanol
CID 103990474
2-N-pentylpyridine-2,5-diamine;piperidine;N-(6-piperidin-1-ylhexyl)quinolin-2-amine
CID 69384441

Frequently Asked Questions

What is the IUPAC name of N-dodecylquinolin-2-amine?
The IUPAC name of N-dodecylquinolin-2-amine (CID 160510159) is N-dodecylquinolin-2-amine.
What is the SMILES notation for N-dodecylquinolin-2-amine?
The canonical SMILES for N-dodecylquinolin-2-amine is CCCCCCCCCCCCNc1ccc2ccccc2n1.
What is the InChIKey of N-dodecylquinolin-2-amine?
The InChIKey is SDULHNRSSMNOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2/c1-2-3-4-5-6-7-8-9-10-13-18-22-21-17-16-19-14-11-12-15-20(19)23-21/h11-12,14-17H,2-10,13,18H2,1H3,(H,22,23).
What are the key properties of N-dodecylquinolin-2-amine?
N-dodecylquinolin-2-amine has a molecular weight of 312.50 g/mol, XLogP of 6.57, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecylquinolin-2-amine is sourced from PubChem (CID 160510159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).