N-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C16H25N — CID 43131355

IUPACN-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCC(C)C(C)NC1CCCCc2ccccc21
InChIInChI=1S/C16H25N/c1-12(2)13(3)17-16-11-7-5-9-14-8-4-6-10-15(14)16/h4,6,8,10,12-13,16-17H,5,7,9,11H2,1-3H3
InChIKeyNYBUUWKWBWVASV-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.09
Rot. Bonds3

About N-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

N-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 43131355) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID43131355
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCC(C)C(C)NC1CCCCc2ccccc21
InChIInChI=1S/C16H25N/c1-12(2)13(3)17-16-11-7-5-9-14-8-4-6-10-15(14)16/h4,6,8,10,12-13,16-17H,5,7,9,11H2,1-3H3
InChIKeyNYBUUWKWBWVASV-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-1-ol
CID 153344227
(1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 158216876
N-[(1R)-1-cycloheptylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81390131
N-[1-(4-methylphenyl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63449232
methyl (2S)-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanoate
CID 43723688
N-methyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide
CID 54950260
N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 78956142
N-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-amine
CID 123748338
N-[(1S)-1-pyridin-2-ylethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79484128
N,N-dimethyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide
CID 43573994
4,4-dimethyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)pentan-1-ol
CID 106349083
N-(1-cyclopropylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63988882

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of N-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 43131355) is N-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for N-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for N-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is CC(C)C(C)NC1CCCCc2ccccc21.
What is the InChIKey of N-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is NYBUUWKWBWVASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12(2)13(3)17-16-11-7-5-9-14-8-4-6-10-15(14)16/h4,6,8,10,12-13,16-17H,5,7,9,11H2,1-3H3.
What are the key properties of N-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
N-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 231.38 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 43131355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).