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

C18H29N3 — CID 65078795

IUPAC[4-(2,3-dihydroindol-1-yl)-1-propylazepan-4-yl]methanamine
SMILESCCCN1CCCC(CN)(N2CCc3ccccc32)CC1
InChIInChI=1S/C18H29N3/c1-2-11-20-12-5-9-18(15-19,10-14-20)21-13-8-16-6-3-4-7-17(16)21/h3-4,6-7H,2,5,8-15,19H2,1H3
InChIKeyFETBYUAUTMTRMD-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.64
Rot. Bonds4

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

[4-(2,3-dihydroindol-1-yl)-1-propylazepan-4-yl]methanamine (PubChem CID 65078795) 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-propylazepan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(2,3-dihydroindol-1-yl)-1-propylazepan-4-yl]methanamine
PubChem CID65078795
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name[4-(2,3-dihydroindol-1-yl)-1-propylazepan-4-yl]methanamine
SMILESCCCN1CCCC(CN)(N2CCc3ccccc32)CC1
InChIInChI=1S/C18H29N3/c1-2-11-20-12-5-9-18(15-19,10-14-20)21-13-8-16-6-3-4-7-17(16)21/h3-4,6-7H,2,5,8-15,19H2,1H3
InChIKeyFETBYUAUTMTRMD-UHFFFAOYSA-N
XLogP2.64
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

[4-(2,3-dihydroindol-1-yl)-1-propan-2-ylazepan-4-yl]methanamine
CID 65078746
[1-(2,3-dihydroindol-1-yl)-3-methylcyclopentyl]methanamine
CID 64501563
[1-cyclopropyl-3-(2,3-dihydroindol-1-yl)pyrrolidin-3-yl]methanamine
CID 62977112
[1-(2,3-dihydroindol-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
CID 64755891
[4-(1,3-dihydroisoindol-2-yl)-1-methylazepan-4-yl]methanamine
CID 65075467
[1-(3,4-dihydro-2H-quinolin-1-yl)-3,5-dimethylcyclohexyl]methanamine
CID 64753229
[3-(3,4-dihydro-2H-quinolin-1-yl)-1,1-dioxothian-3-yl]methanamine
CID 63923441
[1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methanamine
CID 79521524
4-(aminomethyl)-N-benzyl-1-propylazepan-4-amine
CID 65384423
1-[2-(azepan-1-yl)ethyl]-2,3-dihydroindole
CID 54806650
4-(aminomethyl)-N-benzyl-N-methyl-1-propylazepan-4-amine
CID 65078408
[4-(4,4-diethylpiperidin-1-yl)-1-propylpiperidin-4-yl]methanamine
CID 63157147

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydroindol-1-yl)-1-propylazepan-4-yl]methanamine?
The IUPAC name of [4-(2,3-dihydroindol-1-yl)-1-propylazepan-4-yl]methanamine (CID 65078795) is [4-(2,3-dihydroindol-1-yl)-1-propylazepan-4-yl]methanamine.
What is the SMILES notation for [4-(2,3-dihydroindol-1-yl)-1-propylazepan-4-yl]methanamine?
The canonical SMILES for [4-(2,3-dihydroindol-1-yl)-1-propylazepan-4-yl]methanamine is CCCN1CCCC(CN)(N2CCc3ccccc32)CC1.
What is the InChIKey of [4-(2,3-dihydroindol-1-yl)-1-propylazepan-4-yl]methanamine?
The InChIKey is FETBYUAUTMTRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-2-11-20-12-5-9-18(15-19,10-14-20)21-13-8-16-6-3-4-7-17(16)21/h3-4,6-7H,2,5,8-15,19H2,1H3.
What are the key properties of [4-(2,3-dihydroindol-1-yl)-1-propylazepan-4-yl]methanamine?
[4-(2,3-dihydroindol-1-yl)-1-propylazepan-4-yl]methanamine has a molecular weight of 287.45 g/mol, XLogP of 2.64, 4 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-propylazepan-4-yl]methanamine is sourced from PubChem (CID 65078795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).