N-cyclopentyloxy-1-(1-methylindol-3-yl)methanamine

C15H20N2O — CID 107236114

IUPACN-cyclopentyloxy-1-(1-methylindol-3-yl)methanamine
SMILESCn1cc(CNOC2CCCC2)c2ccccc21
InChIInChI=1S/C15H20N2O/c1-17-11-12(14-8-4-5-9-15(14)17)10-16-18-13-6-2-3-7-13/h4-5,8-9,11,13,16H,2-3,6-7,10H2,1H3
InChIKeyCSOMHKLKTUOFSN-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.14
Rot. Bonds4

About N-cyclopentyloxy-1-(1-methylindol-3-yl)methanamine

N-cyclopentyloxy-1-(1-methylindol-3-yl)methanamine (PubChem CID 107236114) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-cyclopentyloxy-1-(1-methylindol-3-yl)methanamine.

Molecular Properties

Compound NameN-cyclopentyloxy-1-(1-methylindol-3-yl)methanamine
PubChem CID107236114
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-cyclopentyloxy-1-(1-methylindol-3-yl)methanamine
SMILESCn1cc(CNOC2CCCC2)c2ccccc21
InChIInChI=1S/C15H20N2O/c1-17-11-12(14-8-4-5-9-15(14)17)10-16-18-13-6-2-3-7-13/h4-5,8-9,11,13,16H,2-3,6-7,10H2,1H3
InChIKeyCSOMHKLKTUOFSN-UHFFFAOYSA-N
XLogP3.14
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethoxy-1-(1-methylindol-3-yl)methanamine
CID 107236064
2-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine
CID 107235324
N-cyclopentyloxy-1-(1-methylindazol-3-yl)methanamine
CID 83235470
2-cyclobutyl-N-[(1-methylindol-3-yl)methyl]ethanamine
CID 107236202
N-[2-(1-methylindol-3-yl)ethyl]cyclopentanamine
CID 82477892
(1S)-1-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine
CID 107235981
2-[(1-methylindol-3-yl)methylamino]cycloheptan-1-ol
CID 107236127
4-N-[(1-methylindol-3-yl)methyl]cyclohexane-1,4-diamine
CID 107235605
N-[(1-methylindol-3-yl)methyl]-1-piperidin-2-ylmethanamine
CID 115209330
N-[(1-methylindol-3-yl)methyl]-1-(thian-2-yl)methanamine
CID 107235936
1-N-[(1-methylindol-3-yl)methyl]cyclopentane-1,2-diamine
CID 115117392
2,2-dimethyl-N-[(1-methylindol-3-yl)methyl]cyclopentan-1-amine
CID 107235903

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-1-(1-methylindol-3-yl)methanamine?
The IUPAC name of N-cyclopentyloxy-1-(1-methylindol-3-yl)methanamine (CID 107236114) is N-cyclopentyloxy-1-(1-methylindol-3-yl)methanamine.
What is the SMILES notation for N-cyclopentyloxy-1-(1-methylindol-3-yl)methanamine?
The canonical SMILES for N-cyclopentyloxy-1-(1-methylindol-3-yl)methanamine is Cn1cc(CNOC2CCCC2)c2ccccc21.
What is the InChIKey of N-cyclopentyloxy-1-(1-methylindol-3-yl)methanamine?
The InChIKey is CSOMHKLKTUOFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-17-11-12(14-8-4-5-9-15(14)17)10-16-18-13-6-2-3-7-13/h4-5,8-9,11,13,16H,2-3,6-7,10H2,1H3.
What are the key properties of N-cyclopentyloxy-1-(1-methylindol-3-yl)methanamine?
N-cyclopentyloxy-1-(1-methylindol-3-yl)methanamine has a molecular weight of 244.34 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-1-(1-methylindol-3-yl)methanamine is sourced from PubChem (CID 107236114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).