N-(1-propylazepan-4-yl)quinolin-3-amine

C18H25N3 — CID 65074656

IUPACN-(1-propylazepan-4-yl)quinolin-3-amine
SMILESCCCN1CCCC(Nc2cnc3ccccc3c2)CC1
InChIInChI=1S/C18H25N3/c1-2-10-21-11-5-7-16(9-12-21)20-17-13-15-6-3-4-8-18(15)19-14-17/h3-4,6,8,13-14,16,20H,2,5,7,9-12H2,1H3
InChIKeyODDNBIPCGBTYMQ-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.91
Rot. Bonds4

About N-(1-propylazepan-4-yl)quinolin-3-amine

N-(1-propylazepan-4-yl)quinolin-3-amine (PubChem CID 65074656) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-(1-propylazepan-4-yl)quinolin-3-amine.

Molecular Properties

Compound NameN-(1-propylazepan-4-yl)quinolin-3-amine
PubChem CID65074656
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-(1-propylazepan-4-yl)quinolin-3-amine
SMILESCCCN1CCCC(Nc2cnc3ccccc3c2)CC1
InChIInChI=1S/C18H25N3/c1-2-10-21-11-5-7-16(9-12-21)20-17-13-15-6-3-4-8-18(15)19-14-17/h3-4,6,8,13-14,16,20H,2,5,7,9-12H2,1H3
InChIKeyODDNBIPCGBTYMQ-UHFFFAOYSA-N
XLogP3.91
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylpiperidin-4-yl)quinolin-3-amine
CID 43691175
N-(3,5-dimethylphenyl)-1-propylazepan-4-amine
CID 65073149
4-N-quinolin-3-ylcyclohexane-1,4-diamine
CID 79724815
5-N-(1-propylpiperidin-4-yl)pyridine-2,5-diamine
CID 54963421
N-(2,3-dihydro-1H-inden-5-yl)-1-propylazepan-4-amine
CID 65072735
N-(3-ethynylphenyl)-1-propylazepan-4-amine
CID 65073177
N-(3-ethoxyphenyl)-1-propylpiperidin-4-amine
CID 54864978
1-propyl-N-thiophen-3-ylazepan-4-amine
CID 66351874
N-(3-fluoro-4-methylphenyl)-1-propylazepan-4-amine
CID 65072540
tert-butyl 4-(quinolin-3-ylamino)piperidine-1-carboxylate
CID 67196651
N-(2-ethylcyclopentyl)quinolin-3-amine
CID 113483363
N-(3-bromo-4-fluorophenyl)-1-propylazepan-4-amine
CID 104775951

Frequently Asked Questions

What is the IUPAC name of N-(1-propylazepan-4-yl)quinolin-3-amine?
The IUPAC name of N-(1-propylazepan-4-yl)quinolin-3-amine (CID 65074656) is N-(1-propylazepan-4-yl)quinolin-3-amine.
What is the SMILES notation for N-(1-propylazepan-4-yl)quinolin-3-amine?
The canonical SMILES for N-(1-propylazepan-4-yl)quinolin-3-amine is CCCN1CCCC(Nc2cnc3ccccc3c2)CC1.
What is the InChIKey of N-(1-propylazepan-4-yl)quinolin-3-amine?
The InChIKey is ODDNBIPCGBTYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-2-10-21-11-5-7-16(9-12-21)20-17-13-15-6-3-4-8-18(15)19-14-17/h3-4,6,8,13-14,16,20H,2,5,7,9-12H2,1H3.
What are the key properties of N-(1-propylazepan-4-yl)quinolin-3-amine?
N-(1-propylazepan-4-yl)quinolin-3-amine has a molecular weight of 283.42 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propylazepan-4-yl)quinolin-3-amine is sourced from PubChem (CID 65074656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).