N-[2-(1,9a,10,10a-tetrahydropyrido[1,2-a]indol-10-yl)ethyl]pentan-1-amine

C19H28N2 — CID 69442871

IUPACN-[2-(1,9a,10,10a-tetrahydropyrido[1,2-a]indol-10-yl)ethyl]pentan-1-amine
SMILESCCCCCNCCC1C2CC=CC=C2N2C=CC=CC12
InChIInChI=1S/C19H28N2/c1-2-3-7-13-20-14-12-17-16-9-4-5-10-18(16)21-15-8-6-11-19(17)21/h4-6,8,10-11,15-17,19-20H,2-3,7,9,12-14H2,1H3
InChIKeyKWIJCARWRQIGJE-UHFFFAOYSA-N
MW284.45 g/mol
LogP4.00
Rot. Bonds7

About N-[2-(1,9a,10,10a-tetrahydropyrido[1,2-a]indol-10-yl)ethyl]pentan-1-amine

N-[2-(1,9a,10,10a-tetrahydropyrido[1,2-a]indol-10-yl)ethyl]pentan-1-amine (PubChem CID 69442871) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is N-[2-(1,9a,10,10a-tetrahydropyrido[1,2-a]indol-10-yl)ethyl]pentan-1-amine.

Molecular Properties

Compound NameN-[2-(1,9a,10,10a-tetrahydropyrido[1,2-a]indol-10-yl)ethyl]pentan-1-amine
PubChem CID69442871
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC NameN-[2-(1,9a,10,10a-tetrahydropyrido[1,2-a]indol-10-yl)ethyl]pentan-1-amine
SMILESCCCCCNCCC1C2CC=CC=C2N2C=CC=CC12
InChIInChI=1S/C19H28N2/c1-2-3-7-13-20-14-12-17-16-9-4-5-10-18(16)21-15-8-6-11-19(17)21/h4-6,8,10-11,15-17,19-20H,2-3,7,9,12-14H2,1H3
InChIKeyKWIJCARWRQIGJE-UHFFFAOYSA-N
XLogP4.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 54.00
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,9a,10,10a-tetrahydropyrido[1,2-a]indol-10-yl)ethyl]pentan-1-amine?
The IUPAC name of N-[2-(1,9a,10,10a-tetrahydropyrido[1,2-a]indol-10-yl)ethyl]pentan-1-amine (CID 69442871) is N-[2-(1,9a,10,10a-tetrahydropyrido[1,2-a]indol-10-yl)ethyl]pentan-1-amine.
What is the SMILES notation for N-[2-(1,9a,10,10a-tetrahydropyrido[1,2-a]indol-10-yl)ethyl]pentan-1-amine?
The canonical SMILES for N-[2-(1,9a,10,10a-tetrahydropyrido[1,2-a]indol-10-yl)ethyl]pentan-1-amine is CCCCCNCCC1C2CC=CC=C2N2C=CC=CC12.
What is the InChIKey of N-[2-(1,9a,10,10a-tetrahydropyrido[1,2-a]indol-10-yl)ethyl]pentan-1-amine?
The InChIKey is KWIJCARWRQIGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-2-3-7-13-20-14-12-17-16-9-4-5-10-18(16)21-15-8-6-11-19(17)21/h4-6,8,10-11,15-17,19-20H,2-3,7,9,12-14H2,1H3.
What are the key properties of N-[2-(1,9a,10,10a-tetrahydropyrido[1,2-a]indol-10-yl)ethyl]pentan-1-amine?
N-[2-(1,9a,10,10a-tetrahydropyrido[1,2-a]indol-10-yl)ethyl]pentan-1-amine has a molecular weight of 284.45 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,9a,10,10a-tetrahydropyrido[1,2-a]indol-10-yl)ethyl]pentan-1-amine is sourced from PubChem (CID 69442871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).