[4-(2,3-dihydroindol-1-yl)-1-propan-2-ylazepan-4-yl]methanamine

C18H29N3 — CID 65078746

IUPAC[4-(2,3-dihydroindol-1-yl)-1-propan-2-ylazepan-4-yl]methanamine
SMILESCC(C)N1CCCC(CN)(N2CCc3ccccc32)CC1
InChIInChI=1S/C18H29N3/c1-15(2)20-11-5-9-18(14-19,10-13-20)21-12-8-16-6-3-4-7-17(16)21/h3-4,6-7,15H,5,8-14,19H2,1-2H3
InChIKeyDTXKEINUHYZRHT-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.64
Rot. Bonds3

About [4-(2,3-dihydroindol-1-yl)-1-propan-2-ylazepan-4-yl]methanamine

[4-(2,3-dihydroindol-1-yl)-1-propan-2-ylazepan-4-yl]methanamine (PubChem CID 65078746) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is [4-(2,3-dihydroindol-1-yl)-1-propan-2-ylazepan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(2,3-dihydroindol-1-yl)-1-propan-2-ylazepan-4-yl]methanamine
PubChem CID65078746
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name[4-(2,3-dihydroindol-1-yl)-1-propan-2-ylazepan-4-yl]methanamine
SMILESCC(C)N1CCCC(CN)(N2CCc3ccccc32)CC1
InChIInChI=1S/C18H29N3/c1-15(2)20-11-5-9-18(14-19,10-13-20)21-12-8-16-6-3-4-7-17(16)21/h3-4,6-7,15H,5,8-14,19H2,1-2H3
InChIKeyDTXKEINUHYZRHT-UHFFFAOYSA-N
XLogP2.64
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydroindol-1-yl)-1-propan-2-ylazepan-4-yl]methanamine?
The IUPAC name of [4-(2,3-dihydroindol-1-yl)-1-propan-2-ylazepan-4-yl]methanamine (CID 65078746) is [4-(2,3-dihydroindol-1-yl)-1-propan-2-ylazepan-4-yl]methanamine.
What is the SMILES notation for [4-(2,3-dihydroindol-1-yl)-1-propan-2-ylazepan-4-yl]methanamine?
The canonical SMILES for [4-(2,3-dihydroindol-1-yl)-1-propan-2-ylazepan-4-yl]methanamine is CC(C)N1CCCC(CN)(N2CCc3ccccc32)CC1.
What is the InChIKey of [4-(2,3-dihydroindol-1-yl)-1-propan-2-ylazepan-4-yl]methanamine?
The InChIKey is DTXKEINUHYZRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-15(2)20-11-5-9-18(14-19,10-13-20)21-12-8-16-6-3-4-7-17(16)21/h3-4,6-7,15H,5,8-14,19H2,1-2H3.
What are the key properties of [4-(2,3-dihydroindol-1-yl)-1-propan-2-ylazepan-4-yl]methanamine?
[4-(2,3-dihydroindol-1-yl)-1-propan-2-ylazepan-4-yl]methanamine has a molecular weight of 287.45 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydroindol-1-yl)-1-propan-2-ylazepan-4-yl]methanamine is sourced from PubChem (CID 65078746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).