(5R)-7,7-dimethyl-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine

C17H25N5 — CID 124888088

IUPAC(5R)-7,7-dimethyl-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine
SMILESC[C@H](N[C@@H]1CC(C)(C)CCc2ccccc21)c1nnnn1C
InChIInChI=1S/C17H25N5/c1-12(16-19-20-21-22(16)4)18-15-11-17(2,3)10-9-13-7-5-6-8-14(13)15/h5-8,12,15,18H,9-11H2,1-4H3/t12-,15+/m0/s1
InChIKeyVGDUDXCXUMJDQE-SWLSCSKDSA-N
MW299.42 g/mol
LogP2.96
Rot. Bonds3

About (5R)-7,7-dimethyl-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine

(5R)-7,7-dimethyl-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine (PubChem CID 124888088) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is (5R)-7,7-dimethyl-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine.

Molecular Properties

Compound Name(5R)-7,7-dimethyl-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine
PubChem CID124888088
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name(5R)-7,7-dimethyl-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine
SMILESC[C@H](N[C@@H]1CC(C)(C)CCc2ccccc21)c1nnnn1C
InChIInChI=1S/C17H25N5/c1-12(16-19-20-21-22(16)4)18-15-11-17(2,3)10-9-13-7-5-6-8-14(13)15/h5-8,12,15,18H,9-11H2,1-4H3/t12-,15+/m0/s1
InChIKeyVGDUDXCXUMJDQE-SWLSCSKDSA-N
XLogP2.96
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7,7-dimethyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 119051295
5-(difluoromethyl)-N-[(5S)-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-yl]-1,3,4-oxadiazol-2-amine
CID 164640894
2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 4878952
N,3,3-trimethyl-2,4-dihydro-1H-naphthalen-1-amine
CID 84618813
1'-[1-(1-methyltetrazol-5-yl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]
CID 154842458
2-methyl-N-[1-(1-methyltetrazol-5-yl)ethyl]cyclopentan-1-amine
CID 136535619
3-[(7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-yl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122013267
N-ethyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)tetrazol-5-yl]ethanamine
CID 103085578
N-[(1R)-1-pyridin-3-ylethyl]-2,3-dihydro-1H-inden-1-amine
CID 81407153
N-[(1R)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-inden-1-amine
CID 81405488
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81377462
2-[[[(5R)-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-yl]amino]methyl]pyrimidin-4-amine
CID 124735904

Frequently Asked Questions

What is the IUPAC name of (5R)-7,7-dimethyl-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine?
The IUPAC name of (5R)-7,7-dimethyl-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine (CID 124888088) is (5R)-7,7-dimethyl-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine.
What is the SMILES notation for (5R)-7,7-dimethyl-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine?
The canonical SMILES for (5R)-7,7-dimethyl-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine is C[C@H](N[C@@H]1CC(C)(C)CCc2ccccc21)c1nnnn1C.
What is the InChIKey of (5R)-7,7-dimethyl-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine?
The InChIKey is VGDUDXCXUMJDQE-SWLSCSKDSA-N. The full InChI is InChI=1S/C17H25N5/c1-12(16-19-20-21-22(16)4)18-15-11-17(2,3)10-9-13-7-5-6-8-14(13)15/h5-8,12,15,18H,9-11H2,1-4H3/t12-,15+/m0/s1.
What are the key properties of (5R)-7,7-dimethyl-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine?
(5R)-7,7-dimethyl-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine has a molecular weight of 299.42 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7,7-dimethyl-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine is sourced from PubChem (CID 124888088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).