N-heptylquinolin-8-amine

C16H22N2 — CID 43130175

IUPACN-heptylquinolin-8-amine
SMILESCCCCCCCNc1cccc2cccnc12
InChIInChI=1S/C16H22N2/c1-2-3-4-5-6-12-17-15-11-7-9-14-10-8-13-18-16(14)15/h7-11,13,17H,2-6,12H2,1H3
InChIKeyRWNXUGRMQRIWQN-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.62
Rot. Bonds7

About N-heptylquinolin-8-amine

N-heptylquinolin-8-amine (PubChem CID 43130175) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-heptylquinolin-8-amine.

Molecular Properties

Compound NameN-heptylquinolin-8-amine
PubChem CID43130175
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN-heptylquinolin-8-amine
SMILESCCCCCCCNc1cccc2cccnc12
InChIInChI=1S/C16H22N2/c1-2-3-4-5-6-12-17-15-11-7-9-14-10-8-13-18-16(14)15/h7-11,13,17H,2-6,12H2,1H3
InChIKeyRWNXUGRMQRIWQN-UHFFFAOYSA-N
XLogP4.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.62
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

6-chloro-N-hexylquinolin-8-amine
CID 43672362
N-[(4-heptylphenyl)methyl]quinolin-8-amine
CID 71429498
5-(quinolin-8-ylamino)pentylcarbamic acid
CID 126720717
6-chloro-N-pentylquinolin-8-amine
CID 43672340
2-methyl-5-(quinolin-8-ylamino)pentan-2-ol
CID 118731137
N-(3,3-dimethylbutyl)quinolin-8-amine
CID 62965994
2-bromo-N-pentylpyridin-3-amine
CID 88814302
N-quinolin-8-ylundecanamide
CID 3567928
8-N-hexylquinoline-7,8-diamine;dihydrochloride
CID 12887821
2-ethoxy-N-octylpyridin-3-amine
CID 43706171
N-nonylnaphthalen-1-amine
CID 63488249
N-icosylnaphthalen-1-amine
CID 53260207

Frequently Asked Questions

What is the IUPAC name of N-heptylquinolin-8-amine?
The IUPAC name of N-heptylquinolin-8-amine (CID 43130175) is N-heptylquinolin-8-amine.
What is the SMILES notation for N-heptylquinolin-8-amine?
The canonical SMILES for N-heptylquinolin-8-amine is CCCCCCCNc1cccc2cccnc12.
What is the InChIKey of N-heptylquinolin-8-amine?
The InChIKey is RWNXUGRMQRIWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-2-3-4-5-6-12-17-15-11-7-9-14-10-8-13-18-16(14)15/h7-11,13,17H,2-6,12H2,1H3.
What are the key properties of N-heptylquinolin-8-amine?
N-heptylquinolin-8-amine has a molecular weight of 242.37 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptylquinolin-8-amine is sourced from PubChem (CID 43130175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).