N-ethyl-1-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propan-2-amine

C16H22N2 — CID 83984528

IUPACN-ethyl-1-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propan-2-amine
SMILESCCNC(C)Cc1c[nH]c2cc3c(cc12)CCC3
InChIInChI=1S/C16H22N2/c1-3-17-11(2)7-14-10-18-16-9-13-6-4-5-12(13)8-15(14)16/h8-11,17-18H,3-7H2,1-2H3
InChIKeyCWLQUJZIFHCRKB-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.20
Rot. Bonds4

About N-ethyl-1-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propan-2-amine

N-ethyl-1-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propan-2-amine (PubChem CID 83984528) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-ethyl-1-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propan-2-amine
PubChem CID83984528
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN-ethyl-1-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propan-2-amine
SMILESCCNC(C)Cc1c[nH]c2cc3c(cc12)CCC3
InChIInChI=1S/C16H22N2/c1-3-17-11(2)7-14-10-18-16-9-13-6-4-5-12(13)8-15(14)16/h8-11,17-18H,3-7H2,1-2H3
InChIKeyCWLQUJZIFHCRKB-UHFFFAOYSA-N
XLogP3.20
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

tert-butyl N-[1-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propan-2-yl]carbamate
CID 83984526
2-methyl-3-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propanamide
CID 83984509
tert-butyl N-[1-(5,6,7,8-tetrahydro-1H-benzo[f]indol-3-yl)propan-2-yl]carbamate
CID 83984638
2-(5,6,7,8-tetrahydro-1H-benzo[f]indol-3-ylmethyl)butanoic acid
CID 83984618
1-cyclopentyl-2-(1,5,6,7,8,9-hexahydrocyclohepta[f]indol-3-yl)ethanamine
CID 83984793
3-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propanoic acid
CID 83984491
2-(methylamino)-2-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)acetic acid
CID 83984535
1-(2-bromo-5-methoxyphenyl)-N-ethylpropan-2-amine
CID 65325217
1-(5-fluoro-1H-indol-3-yl)-N-methylpropan-2-amine
CID 117195576
N-[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-2-methyl-3-methylidenepentan-1-amine
CID 135277087
N'-[1-(1H-indol-3-yl)propan-2-yl]ethane-1,2-diamine
CID 3497526
2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]butan-1-amine
CID 162616789

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propan-2-amine?
The IUPAC name of N-ethyl-1-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propan-2-amine (CID 83984528) is N-ethyl-1-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propan-2-amine?
The canonical SMILES for N-ethyl-1-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propan-2-amine is CCNC(C)Cc1c[nH]c2cc3c(cc12)CCC3.
What is the InChIKey of N-ethyl-1-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propan-2-amine?
The InChIKey is CWLQUJZIFHCRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-3-17-11(2)7-14-10-18-16-9-13-6-4-5-12(13)8-15(14)16/h8-11,17-18H,3-7H2,1-2H3.
What are the key properties of N-ethyl-1-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propan-2-amine?
N-ethyl-1-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propan-2-amine has a molecular weight of 242.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propan-2-amine is sourced from PubChem (CID 83984528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).