N-[[1-(2,3-dihydroindol-1-ylmethyl)cyclohexyl]methyl]propan-1-amine

C19H30N2 — CID 63484113

IUPACN-[[1-(2,3-dihydroindol-1-ylmethyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(CN2CCc3ccccc32)CCCCC1
InChIInChI=1S/C19H30N2/c1-2-13-20-15-19(11-6-3-7-12-19)16-21-14-10-17-8-4-5-9-18(17)21/h4-5,8-9,20H,2-3,6-7,10-16H2,1H3
InChIKeyXQGDQAYUTOMZMX-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.00
Rot. Bonds6

About N-[[1-(2,3-dihydroindol-1-ylmethyl)cyclohexyl]methyl]propan-1-amine

N-[[1-(2,3-dihydroindol-1-ylmethyl)cyclohexyl]methyl]propan-1-amine (PubChem CID 63484113) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-[[1-(2,3-dihydroindol-1-ylmethyl)cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(2,3-dihydroindol-1-ylmethyl)cyclohexyl]methyl]propan-1-amine
PubChem CID63484113
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-[[1-(2,3-dihydroindol-1-ylmethyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(CN2CCc3ccccc32)CCCCC1
InChIInChI=1S/C19H30N2/c1-2-13-20-15-19(11-6-3-7-12-19)16-21-14-10-17-8-4-5-9-18(17)21/h4-5,8-9,20H,2-3,6-7,10-16H2,1H3
InChIKeyXQGDQAYUTOMZMX-UHFFFAOYSA-N
XLogP4.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
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-[[1-(2,3-dihydroindol-1-ylmethyl)cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(2,3-dihydroindol-1-ylmethyl)cyclohexyl]methyl]propan-1-amine (CID 63484113) is N-[[1-(2,3-dihydroindol-1-ylmethyl)cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(2,3-dihydroindol-1-ylmethyl)cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(2,3-dihydroindol-1-ylmethyl)cyclohexyl]methyl]propan-1-amine is CCCNCC1(CN2CCc3ccccc32)CCCCC1.
What is the InChIKey of N-[[1-(2,3-dihydroindol-1-ylmethyl)cyclohexyl]methyl]propan-1-amine?
The InChIKey is XQGDQAYUTOMZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-2-13-20-15-19(11-6-3-7-12-19)16-21-14-10-17-8-4-5-9-18(17)21/h4-5,8-9,20H,2-3,6-7,10-16H2,1H3.
What are the key properties of N-[[1-(2,3-dihydroindol-1-ylmethyl)cyclohexyl]methyl]propan-1-amine?
N-[[1-(2,3-dihydroindol-1-ylmethyl)cyclohexyl]methyl]propan-1-amine has a molecular weight of 286.46 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-dihydroindol-1-ylmethyl)cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 63484113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).