N-prop-1-en-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C14H19N — CID 153395862

IUPACN-prop-1-en-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESC=C(C)NC1CCCCc2ccccc21
InChIInChI=1S/C14H19N/c1-11(2)15-14-10-6-4-8-12-7-3-5-9-13(12)14/h3,5,7,9,14-15H,1,4,6,8,10H2,2H3
InChIKeyWYAXABOOVOIJJK-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.58
Rot. Bonds2

About N-prop-1-en-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

N-prop-1-en-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 153395862) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is N-prop-1-en-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound NameN-prop-1-en-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID153395862
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC NameN-prop-1-en-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESC=C(C)NC1CCCCc2ccccc21
InChIInChI=1S/C14H19N/c1-11(2)15-14-10-6-4-8-12-7-3-5-9-13(12)14/h3,5,7,9,14-15H,1,4,6,8,10H2,2H3
InChIKeyWYAXABOOVOIJJK-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]propanamide
CID 166867733
N-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-amine
CID 123748338
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743
N-cyclopentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43095434
2-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-1-ol
CID 153344227
(2S)-2-propan-2-ylsulfonyl-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]propanamide
CID 94809577
4-acetamido-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7688434
N-cyclohexyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43094582
N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methanesulfonamide
CID 71934404
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429
N-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43131355
2,3,4,5,6-pentafluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 71474180

Frequently Asked Questions

What is the IUPAC name of N-prop-1-en-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of N-prop-1-en-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 153395862) is N-prop-1-en-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for N-prop-1-en-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for N-prop-1-en-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is C=C(C)NC1CCCCc2ccccc21.
What is the InChIKey of N-prop-1-en-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is WYAXABOOVOIJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-11(2)15-14-10-6-4-8-12-7-3-5-9-13(12)14/h3,5,7,9,14-15H,1,4,6,8,10H2,2H3.
What are the key properties of N-prop-1-en-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
N-prop-1-en-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 201.31 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-1-en-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 153395862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).