N-[3-(2H-pyrano[3,2-e]indol-3-yl)prop-1-enyl]pentan-1-amine

C19H24N2O — CID 173199651

IUPACN-[3-(2H-pyrano[3,2-e]indol-3-yl)prop-1-enyl]pentan-1-amine
SMILESCCCCCNC=CCN1CC=c2c1ccc1c2=CC=CO1
InChIInChI=1S/C19H24N2O/c1-2-3-4-11-20-12-6-13-21-14-10-16-17-7-5-15-22-19(17)9-8-18(16)21/h5-10,12,15,20H,2-4,11,13-14H2,1H3
InChIKeyXNZLSLIEAFYUFG-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.27
Rot. Bonds7

About N-[3-(2H-pyrano[3,2-e]indol-3-yl)prop-1-enyl]pentan-1-amine

N-[3-(2H-pyrano[3,2-e]indol-3-yl)prop-1-enyl]pentan-1-amine (PubChem CID 173199651) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-[3-(2H-pyrano[3,2-e]indol-3-yl)prop-1-enyl]pentan-1-amine.

Molecular Properties

Compound NameN-[3-(2H-pyrano[3,2-e]indol-3-yl)prop-1-enyl]pentan-1-amine
PubChem CID173199651
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-[3-(2H-pyrano[3,2-e]indol-3-yl)prop-1-enyl]pentan-1-amine
SMILESCCCCCNC=CCN1CC=c2c1ccc1c2=CC=CO1
InChIInChI=1S/C19H24N2O/c1-2-3-4-11-20-12-6-13-21-14-10-16-17-7-5-15-22-19(17)9-8-18(16)21/h5-10,12,15,20H,2-4,11,13-14H2,1H3
InChIKeyXNZLSLIEAFYUFG-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dihydropyrano[3,2-e]indole
CID 54302224
2-(2H-pyrano[3,2-e]indol-3-yl)ethanamine
CID 87939535
N-[1-(2H-pyrano[3,2-e]indol-3-yl)prop-2-enyl]pentan-1-amine
CID 87941451
N-[1-(9bH-pyrano[3,2-e]indol-3-yl)prop-2-enyl]pentan-1-amine
CID 87941452
6-Methoxy-1,2,3,4-tetrahydrobenzo[cd]indole
CID 88193005
1-pentoxy-N-pentyl-4aH-benzo[c]chromen-9-amine
CID 88756542
N-pentyl-4aH-benzo[c]chromen-9-amine
CID 88757653
4,6-dimethyl-8-(4-methylpentoxy)-5,6a-dihydro-3H-benzo[c][2,7]naphthyridine
CID 118278291
1-N-(6-methoxy-1,8a-dihydroquinolin-8-yl)pentane-1,4-diamine
CID 143829328
4-N-(6-methoxy-1,8a-dihydroquinolin-8-yl)pentane-1,4-diamine
CID 143832123
ethane;4-N-(6-methoxy-1,8a-dihydroquinolin-8-yl)pentane-1,4-diamine
CID 144745897
2-(5-methoxy-5,6-dihydro-1H-indol-3-yl)ethanamine
CID 148794896

Frequently Asked Questions

What is the IUPAC name of N-[3-(2H-pyrano[3,2-e]indol-3-yl)prop-1-enyl]pentan-1-amine?
The IUPAC name of N-[3-(2H-pyrano[3,2-e]indol-3-yl)prop-1-enyl]pentan-1-amine (CID 173199651) is N-[3-(2H-pyrano[3,2-e]indol-3-yl)prop-1-enyl]pentan-1-amine.
What is the SMILES notation for N-[3-(2H-pyrano[3,2-e]indol-3-yl)prop-1-enyl]pentan-1-amine?
The canonical SMILES for N-[3-(2H-pyrano[3,2-e]indol-3-yl)prop-1-enyl]pentan-1-amine is CCCCCNC=CCN1CC=c2c1ccc1c2=CC=CO1.
What is the InChIKey of N-[3-(2H-pyrano[3,2-e]indol-3-yl)prop-1-enyl]pentan-1-amine?
The InChIKey is XNZLSLIEAFYUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-2-3-4-11-20-12-6-13-21-14-10-16-17-7-5-15-22-19(17)9-8-18(16)21/h5-10,12,15,20H,2-4,11,13-14H2,1H3.
What are the key properties of N-[3-(2H-pyrano[3,2-e]indol-3-yl)prop-1-enyl]pentan-1-amine?
N-[3-(2H-pyrano[3,2-e]indol-3-yl)prop-1-enyl]pentan-1-amine has a molecular weight of 296.41 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2H-pyrano[3,2-e]indol-3-yl)prop-1-enyl]pentan-1-amine is sourced from PubChem (CID 173199651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).