1-(6-methyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)pentan-3-amine

C19H29N3 — CID 83983784

IUPAC1-(6-methyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)pentan-3-amine
SMILESCCCn1cc(CCC(N)CC)c2cc3c(cc21)CN(C)C3
InChIInChI=1S/C19H29N3/c1-4-8-22-13-14(6-7-17(20)5-2)18-9-15-11-21(3)12-16(15)10-19(18)22/h9-10,13,17H,4-8,11-12,20H2,1-3H3
InChIKeyDTHRXVFNWZMAEY-UHFFFAOYSA-N
MW299.46 g/mol
LogP3.67
Rot. Bonds6

About 1-(6-methyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)pentan-3-amine

1-(6-methyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)pentan-3-amine (PubChem CID 83983784) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is 1-(6-methyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)pentan-3-amine.

Molecular Properties

Compound Name1-(6-methyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)pentan-3-amine
PubChem CID83983784
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC Name1-(6-methyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)pentan-3-amine
SMILESCCCn1cc(CCC(N)CC)c2cc3c(cc21)CN(C)C3
InChIInChI=1S/C19H29N3/c1-4-8-22-13-14(6-7-17(20)5-2)18-9-15-11-21(3)12-16(15)10-19(18)22/h9-10,13,17H,4-8,11-12,20H2,1-3H3
InChIKeyDTHRXVFNWZMAEY-UHFFFAOYSA-N
XLogP3.67
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)pentan-3-amine?
The IUPAC name of 1-(6-methyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)pentan-3-amine (CID 83983784) is 1-(6-methyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)pentan-3-amine.
What is the SMILES notation for 1-(6-methyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)pentan-3-amine?
The canonical SMILES for 1-(6-methyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)pentan-3-amine is CCCn1cc(CCC(N)CC)c2cc3c(cc21)CN(C)C3.
What is the InChIKey of 1-(6-methyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)pentan-3-amine?
The InChIKey is DTHRXVFNWZMAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3/c1-4-8-22-13-14(6-7-17(20)5-2)18-9-15-11-21(3)12-16(15)10-19(18)22/h9-10,13,17H,4-8,11-12,20H2,1-3H3.
What are the key properties of 1-(6-methyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)pentan-3-amine?
1-(6-methyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)pentan-3-amine has a molecular weight of 299.46 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)pentan-3-amine is sourced from PubChem (CID 83983784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).