(3aR,9bR)-3-propyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole

C15H21N — CID 10443274

IUPAC(3aR,9bR)-3-propyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole
SMILESCCCN1CC[C@@H]2c3ccccc3CC[C@H]21
InChIInChI=1S/C15H21N/c1-2-10-16-11-9-14-13-6-4-3-5-12(13)7-8-15(14)16/h3-6,14-15H,2,7-11H2,1H3/t14-,15-/m1/s1
InChIKeyANSBSVSYIULXCZ-HUUCEWRRSA-N
MW215.34 g/mol
LogP3.20
Rot. Bonds2

About (3aR,9bR)-3-propyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole

(3aR,9bR)-3-propyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole (PubChem CID 10443274) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is (3aR,9bR)-3-propyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole.

Molecular Properties

Compound Name(3aR,9bR)-3-propyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole
PubChem CID10443274
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name(3aR,9bR)-3-propyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole
SMILESCCCN1CC[C@@H]2c3ccccc3CC[C@H]21
InChIInChI=1S/C15H21N/c1-2-10-16-11-9-14-13-6-4-3-5-12(13)7-8-15(14)16/h3-6,14-15H,2,7-11H2,1H3/t14-,15-/m1/s1
InChIKeyANSBSVSYIULXCZ-HUUCEWRRSA-N
XLogP3.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,4R)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10106214
n,n-Dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 242461
1-Phenyl-3-dimethylamino-1,2,3,4-tetrahydronaphthalene
CID 10015055
(2S,4S)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10037815
N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 132954
(3aR,9bS)-3-Allyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole
CID 10059274
(S)-5-phenyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 11186985
N,N-Dipropyl-2-aminotetralin
CID 90285
Benzo(f)quinoline, 1,2,3,4,4a,5,6,10b-octahydro-4-methyl-, trans-
CID 121360
(+)-cis-H2-PAT
CID 15657195
(3aR,9bS)-3-Allyl-9-bromo-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole
CID 10424408
2-(1-Methyl-2-phenylethyl)isoindoline
CID 6618797

Frequently Asked Questions

What is the IUPAC name of (3aR,9bR)-3-propyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole?
The IUPAC name of (3aR,9bR)-3-propyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole (CID 10443274) is (3aR,9bR)-3-propyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole.
What is the SMILES notation for (3aR,9bR)-3-propyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole?
The canonical SMILES for (3aR,9bR)-3-propyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole is CCCN1CC[C@@H]2c3ccccc3CC[C@H]21.
What is the InChIKey of (3aR,9bR)-3-propyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole?
The InChIKey is ANSBSVSYIULXCZ-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H21N/c1-2-10-16-11-9-14-13-6-4-3-5-12(13)7-8-15(14)16/h3-6,14-15H,2,7-11H2,1H3/t14-,15-/m1/s1.
What are the key properties of (3aR,9bR)-3-propyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole?
(3aR,9bR)-3-propyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole has a molecular weight of 215.34 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,9bR)-3-propyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole is sourced from PubChem (CID 10443274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).