N-[3-(2,3-dihydroindol-1-yl)propyl]cyclopropanamine

C14H20N2 — CID 60867490

IUPACN-[3-(2,3-dihydroindol-1-yl)propyl]cyclopropanamine
SMILESc1ccc2c(c1)CCN2CCCNC1CC1
InChIInChI=1S/C14H20N2/c1-2-5-14-12(4-1)8-11-16(14)10-3-9-15-13-6-7-13/h1-2,4-5,13,15H,3,6-11H2
InChIKeySTALKAHLKHRWHQ-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.19
Rot. Bonds5

About N-[3-(2,3-dihydroindol-1-yl)propyl]cyclopropanamine

N-[3-(2,3-dihydroindol-1-yl)propyl]cyclopropanamine (PubChem CID 60867490) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is N-[3-(2,3-dihydroindol-1-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(2,3-dihydroindol-1-yl)propyl]cyclopropanamine
PubChem CID60867490
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC NameN-[3-(2,3-dihydroindol-1-yl)propyl]cyclopropanamine
SMILESc1ccc2c(c1)CCN2CCCNC1CC1
InChIInChI=1S/C14H20N2/c1-2-5-14-12(4-1)8-11-16(14)10-3-9-15-13-6-7-13/h1-2,4-5,13,15H,3,6-11H2
InChIKeySTALKAHLKHRWHQ-UHFFFAOYSA-N
XLogP2.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.19
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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Related Compounds

N-[3-(2,3-dihydroindol-1-yl)propyl]piperidin-4-amine
CID 54902685
N-[5-(3,4-dihydro-2H-quinolin-1-yl)pentyl]cyclopropanamine
CID 55069946
N-[2-(2,3-dihydroindol-1-yl)ethyl]cyclopentanamine
CID 55024431
N-[3-(2,3-dihydroindol-1-yl)propyl]-5-methylthiolan-3-amine
CID 79942253
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105363806
N-[3-(2,3-dihydroindol-1-yl)propyl]formamide
CID 64990492
1-butyl-2,3-dihydroindole
CID 4167209
N-[3-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)propyl]cyclopropanamine
CID 113366586
N-[3-(2,3-dihydroindol-1-yl)propyl]-4,4-dimethylthian-3-amine
CID 79954468
ethyl 4-[2-(2,3-dihydroindol-1-yl)ethylamino]piperidine-1-carboxylate
CID 50964250
3-(2,3-dihydroindol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62569832
3-(2,3-dihydroindol-1-yl)-N-[(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 82833789

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]cyclopropanamine?
The IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]cyclopropanamine (CID 60867490) is N-[3-(2,3-dihydroindol-1-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[3-(2,3-dihydroindol-1-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[3-(2,3-dihydroindol-1-yl)propyl]cyclopropanamine is c1ccc2c(c1)CCN2CCCNC1CC1.
What is the InChIKey of N-[3-(2,3-dihydroindol-1-yl)propyl]cyclopropanamine?
The InChIKey is STALKAHLKHRWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-2-5-14-12(4-1)8-11-16(14)10-3-9-15-13-6-7-13/h1-2,4-5,13,15H,3,6-11H2.
What are the key properties of N-[3-(2,3-dihydroindol-1-yl)propyl]cyclopropanamine?
N-[3-(2,3-dihydroindol-1-yl)propyl]cyclopropanamine has a molecular weight of 216.33 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydroindol-1-yl)propyl]cyclopropanamine is sourced from PubChem (CID 60867490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).