N-[[2-(quinolin-4-ylmethyl)cyclopentyl]methyl]propan-1-amine

C19H26N2 — CID 81026825

IUPACN-[[2-(quinolin-4-ylmethyl)cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1CCCC1Cc1ccnc2ccccc12
InChIInChI=1S/C19H26N2/c1-2-11-20-14-17-7-5-6-15(17)13-16-10-12-21-19-9-4-3-8-18(16)19/h3-4,8-10,12,15,17,20H,2,5-7,11,13-14H2,1H3
InChIKeyRBKFQYFDSBJMIJ-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.19
Rot. Bonds6

About N-[[2-(quinolin-4-ylmethyl)cyclopentyl]methyl]propan-1-amine

N-[[2-(quinolin-4-ylmethyl)cyclopentyl]methyl]propan-1-amine (PubChem CID 81026825) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[[2-(quinolin-4-ylmethyl)cyclopentyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(quinolin-4-ylmethyl)cyclopentyl]methyl]propan-1-amine
PubChem CID81026825
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN-[[2-(quinolin-4-ylmethyl)cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1CCCC1Cc1ccnc2ccccc12
InChIInChI=1S/C19H26N2/c1-2-11-20-14-17-7-5-6-15(17)13-16-10-12-21-19-9-4-3-8-18(16)19/h3-4,8-10,12,15,17,20H,2,5-7,11,13-14H2,1H3
InChIKeyRBKFQYFDSBJMIJ-UHFFFAOYSA-N
XLogP4.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.19
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

N-[[2-(pyridin-2-ylmethyl)cyclohexyl]methyl]propan-1-amine
CID 81027779
N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81034036
N-[[2-[(2-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81034455
N-[[2-[(2-fluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81026010
1-cyclobutyl-N-(quinolin-4-ylmethyl)methanamine
CID 63850221
N-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]propan-1-amine
CID 81026013
N-[[2-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81028870
2-(quinolin-4-ylmethyl)cyclohexane-1-carboxylic acid
CID 81007961
N-[[2-(thiophen-2-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 81034479
4-ethyl-2-(quinolin-4-ylmethyl)cyclohexan-1-ol
CID 79424258
N-propyl-5-quinolin-4-ylpent-3-en-1-amine
CID 79592748
N-[[2-[(2-chloro-5-fluorophenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 102621837

Frequently Asked Questions

What is the IUPAC name of N-[[2-(quinolin-4-ylmethyl)cyclopentyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(quinolin-4-ylmethyl)cyclopentyl]methyl]propan-1-amine (CID 81026825) is N-[[2-(quinolin-4-ylmethyl)cyclopentyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(quinolin-4-ylmethyl)cyclopentyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(quinolin-4-ylmethyl)cyclopentyl]methyl]propan-1-amine is CCCNCC1CCCC1Cc1ccnc2ccccc12.
What is the InChIKey of N-[[2-(quinolin-4-ylmethyl)cyclopentyl]methyl]propan-1-amine?
The InChIKey is RBKFQYFDSBJMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-2-11-20-14-17-7-5-6-15(17)13-16-10-12-21-19-9-4-3-8-18(16)19/h3-4,8-10,12,15,17,20H,2,5-7,11,13-14H2,1H3.
What are the key properties of N-[[2-(quinolin-4-ylmethyl)cyclopentyl]methyl]propan-1-amine?
N-[[2-(quinolin-4-ylmethyl)cyclopentyl]methyl]propan-1-amine has a molecular weight of 282.43 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(quinolin-4-ylmethyl)cyclopentyl]methyl]propan-1-amine is sourced from PubChem (CID 81026825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).