N,2,3,7-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C15H23N — CID 115483167

IUPACN,2,3,7-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCNC1CC(C)CCc2cc(C)c(C)cc21
InChIInChI=1S/C15H23N/c1-10-5-6-13-8-11(2)12(3)9-14(13)15(7-10)16-4/h8-10,15-16H,5-7H2,1-4H3
InChIKeyIHRIWMSZZXUZBK-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.54
Rot. Bonds1

About N,2,3,7-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

N,2,3,7-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 115483167) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N,2,3,7-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound NameN,2,3,7-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID115483167
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN,2,3,7-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCNC1CC(C)CCc2cc(C)c(C)cc21
InChIInChI=1S/C15H23N/c1-10-5-6-13-8-11(2)12(3)9-14(13)15(7-10)16-4/h8-10,15-16H,5-7H2,1-4H3
InChIKeyIHRIWMSZZXUZBK-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-N,6-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 172576256
3-ethoxy-N,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 55155020
1,3-difluoro-N,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62943341
methane;1,5,6-trimethyl-2,3-dihydro-1H-indene;2,5,6-trimethyl-2,3-dihydro-1H-indene
CID 161247777
N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine
CID 3058652
4-bromo-1-methoxy-N,3,7-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 65433004
5-chloro-N,9-dimethyl-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine
CID 79597401
N-ethyl-14-methyl-4,8-dioxatricyclo[9.5.0.03,9]hexadeca-1,3(9),10-trien-12-amine
CID 62943336
5-fluoro-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 126986909
1,6-dimethyl-2,3-dihydro-1H-inden-5-ol
CID 71371609
2-N-(5,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-6-methyl-1,3,5-triazine-2,4-diamine
CID 58590408
6-chloro-5-iodo-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 155205670

Frequently Asked Questions

What is the IUPAC name of N,2,3,7-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of N,2,3,7-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 115483167) is N,2,3,7-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for N,2,3,7-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for N,2,3,7-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is CNC1CC(C)CCc2cc(C)c(C)cc21.
What is the InChIKey of N,2,3,7-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is IHRIWMSZZXUZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-10-5-6-13-8-11(2)12(3)9-14(13)15(7-10)16-4/h8-10,15-16H,5-7H2,1-4H3.
What are the key properties of N,2,3,7-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
N,2,3,7-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 217.36 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3,7-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 115483167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).