N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-ethylcyclopropanamine

C14H26N2 — CID 43264303

IUPACN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-ethylcyclopropanamine
SMILESCCN(CC1CC2CCCCC2N1)C1CC1
InChIInChI=1S/C14H26N2/c1-2-16(13-7-8-13)10-12-9-11-5-3-4-6-14(11)15-12/h11-15H,2-10H2,1H3
InChIKeyUPMWHOFGCDJZHD-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.39
Rot. Bonds4

About N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-ethylcyclopropanamine

N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-ethylcyclopropanamine (PubChem CID 43264303) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-ethylcyclopropanamine.

Molecular Properties

Compound NameN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-ethylcyclopropanamine
PubChem CID43264303
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-ethylcyclopropanamine
SMILESCCN(CC1CC2CCCCC2N1)C1CC1
InChIInChI=1S/C14H26N2/c1-2-16(13-7-8-13)10-12-9-11-5-3-4-6-14(11)15-12/h11-15H,2-10H2,1H3
InChIKeyUPMWHOFGCDJZHD-UHFFFAOYSA-N
XLogP2.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 82960788
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Frequently Asked Questions

What is the IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-ethylcyclopropanamine?
The IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-ethylcyclopropanamine (CID 43264303) is N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-ethylcyclopropanamine.
What is the SMILES notation for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-ethylcyclopropanamine?
The canonical SMILES for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-ethylcyclopropanamine is CCN(CC1CC2CCCCC2N1)C1CC1.
What is the InChIKey of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-ethylcyclopropanamine?
The InChIKey is UPMWHOFGCDJZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-2-16(13-7-8-13)10-12-9-11-5-3-4-6-14(11)15-12/h11-15H,2-10H2,1H3.
What are the key properties of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-ethylcyclopropanamine?
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-ethylcyclopropanamine has a molecular weight of 222.38 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-ethylcyclopropanamine is sourced from PubChem (CID 43264303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).