N-ethyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-5-amine

C14H21N3 — CID 76985793

IUPACN-ethyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-5-amine
SMILESCCNC1NNC2c3ccccc3CCCC12
InChIInChI=1S/C14H21N3/c1-2-15-14-12-9-5-7-10-6-3-4-8-11(10)13(12)16-17-14/h3-4,6,8,12-17H,2,5,7,9H2,1H3
InChIKeyFZRPDDKZSJUDGI-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.72
Rot. Bonds2

About N-ethyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-5-amine

N-ethyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-5-amine (PubChem CID 76985793) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-ethyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-5-amine.

Molecular Properties

Compound NameN-ethyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-5-amine
PubChem CID76985793
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN-ethyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-5-amine
SMILESCCNC1NNC2c3ccccc3CCCC12
InChIInChI=1S/C14H21N3/c1-2-15-14-12-9-5-7-10-6-3-4-8-11(10)13(12)16-17-14/h3-4,6,8,12-17H,2,5,7,9H2,1H3
InChIKeyFZRPDDKZSJUDGI-UHFFFAOYSA-N
XLogP1.72
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methyltricyclo[7.4.0.02,5]trideca-1(13),9,11-trien-4-amine
CID 81422444
6-butyl-N-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63403512
N-ethyl-6-(2-methylpentyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63403421
5-N-ethyl-6-N,6-N-dipropyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
CID 63466737
N-ethyl-6-(2-propoxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63686004
3-[[5-(ethylamino)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]sulfanyl]propan-1-ol
CID 66128577
5-N-ethyl-6-N-methyl-6-N-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
CID 63469910
N-ethyl-6-(oxan-4-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62385719
5-N-ethyl-6-N-methyl-6-N-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
CID 63983993
N-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide
CID 43400828
N-ethyl-2-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-amine
CID 55175096
N-[(2-ethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62391908

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-5-amine?
The IUPAC name of N-ethyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-5-amine (CID 76985793) is N-ethyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-5-amine.
What is the SMILES notation for N-ethyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-5-amine?
The canonical SMILES for N-ethyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-5-amine is CCNC1NNC2c3ccccc3CCCC12.
What is the InChIKey of N-ethyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-5-amine?
The InChIKey is FZRPDDKZSJUDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-2-15-14-12-9-5-7-10-6-3-4-8-11(10)13(12)16-17-14/h3-4,6,8,12-17H,2,5,7,9H2,1H3.
What are the key properties of N-ethyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-5-amine?
N-ethyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-5-amine has a molecular weight of 231.34 g/mol, XLogP of 1.72, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-5-amine is sourced from PubChem (CID 76985793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).