3-ethyl-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C16H25N — CID 63512839

IUPAC3-ethyl-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCCCNC1CCCCc2ccc(CC)cc21
InChIInChI=1S/C16H25N/c1-3-11-17-16-8-6-5-7-14-10-9-13(4-2)12-15(14)16/h9-10,12,16-17H,3-8,11H2,1-2H3
InChIKeyCNPZRZDRALUJJX-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.02
Rot. Bonds4

About 3-ethyl-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

3-ethyl-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 63512839) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 3-ethyl-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound Name3-ethyl-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID63512839
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name3-ethyl-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCCCNC1CCCCc2ccc(CC)cc21
InChIInChI=1S/C16H25N/c1-3-11-17-16-8-6-5-7-14-10-9-13(4-2)12-15(14)16/h9-10,12,16-17H,3-8,11H2,1-2H3
InChIKeyCNPZRZDRALUJJX-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-cyclohexyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63512491
N-ethyl-7-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62737677
7-ethyl-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113305796
6-chloro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383375
3-chloro-N-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62735993
6-tert-butyl-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383373
(1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 21104537
3-cyclohexyl-N-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63515103
1-bromo-7-ethyl-1,2,3,4-tetrahydronaphthalene
CID 63514071
6-ethyl-3-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 63823010
N,7-dipropyl-1,2,4,5-tetrahydro-3-benzoxepin-5-amine
CID 55109377
7-[(E)-3-chloro-2-methylprop-2-enoxy]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106437193

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of 3-ethyl-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 63512839) is 3-ethyl-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for 3-ethyl-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for 3-ethyl-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is CCCNC1CCCCc2ccc(CC)cc21.
What is the InChIKey of 3-ethyl-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is CNPZRZDRALUJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-3-11-17-16-8-6-5-7-14-10-9-13(4-2)12-15(14)16/h9-10,12,16-17H,3-8,11H2,1-2H3.
What are the key properties of 3-ethyl-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
3-ethyl-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 231.38 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 63512839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).