N-[[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]methyl]cyclopropanamine

C19H28N2 — CID 82752403

IUPACN-[[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]methyl]cyclopropanamine
SMILESc1cc(CN2CCC3CCCCC32)ccc1CNC1CC1
InChIInChI=1S/C19H28N2/c1-2-4-19-17(3-1)11-12-21(19)14-16-7-5-15(6-8-16)13-20-18-9-10-18/h5-8,17-20H,1-4,9-14H2
InChIKeyVUVCAHCMCRMDCJ-UHFFFAOYSA-N
MW284.45 g/mol
LogP3.70
Rot. Bonds5

About N-[[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]methyl]cyclopropanamine

N-[[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]methyl]cyclopropanamine (PubChem CID 82752403) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is N-[[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]methyl]cyclopropanamine
PubChem CID82752403
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC NameN-[[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]methyl]cyclopropanamine
SMILESc1cc(CN2CCC3CCCCC32)ccc1CNC1CC1
InChIInChI=1S/C19H28N2/c1-2-4-19-17(3-1)11-12-21(19)14-16-7-5-15(6-8-16)13-20-18-9-10-18/h5-8,17-20H,1-4,9-14H2
InChIKeyVUVCAHCMCRMDCJ-UHFFFAOYSA-N
XLogP3.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]methyl]cyclopropanamine
CID 65319734
2-[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]acetohydrazide
CID 105352055
1-[(4-bromophenyl)methyl]-2-cyclopentylpyrrolidine
CID 55192798
1-[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]-N-methylmethanamine
CID 82753134
2-[4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]phenyl]ethanamine
CID 102726874
4-[(2-cyclopentylpyrrolidin-1-yl)methyl]benzonitrile
CID 61073075
1-[(4-propan-2-ylphenyl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 58659517
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)benzonitrile
CID 43408270
1-[(3-bromo-4-fluorophenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82750472
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-2-fluoroaniline
CID 82747102
N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]cyclopentanamine
CID 82750623
N-[4-[(cyclopropylamino)methyl]phenyl]cycloheptanamine
CID 106913373

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]methyl]cyclopropanamine (CID 82752403) is N-[[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]methyl]cyclopropanamine is c1cc(CN2CCC3CCCCC32)ccc1CNC1CC1.
What is the InChIKey of N-[[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]methyl]cyclopropanamine?
The InChIKey is VUVCAHCMCRMDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-2-4-19-17(3-1)11-12-21(19)14-16-7-5-15(6-8-16)13-20-18-9-10-18/h5-8,17-20H,1-4,9-14H2.
What are the key properties of N-[[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]methyl]cyclopropanamine?
N-[[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]methyl]cyclopropanamine has a molecular weight of 284.45 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 82752403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).