1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)nonan-1-amine

C20H31N — CID 115835676

IUPAC1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)nonan-1-amine
SMILESCCCCCCCCC(N)C1C2CCc3ccccc3C21
InChIInChI=1S/C20H31N/c1-2-3-4-5-6-7-12-18(21)20-17-14-13-15-10-8-9-11-16(15)19(17)20/h8-11,17-20H,2-7,12-14,21H2,1H3
InChIKeyUREXFHSQOACHKX-UHFFFAOYSA-N
MW285.48 g/mol
LogP5.04
Rot. Bonds8

About 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)nonan-1-amine

1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)nonan-1-amine (PubChem CID 115835676) has the molecular formula C20H31N and a molecular weight of 285.48 g/mol. Its IUPAC name is 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)nonan-1-amine.

Molecular Properties

Compound Name1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)nonan-1-amine
PubChem CID115835676
Molecular FormulaC20H31N
Molecular Weight285.48 g/mol
Exact Mass285.25
IUPAC Name1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)nonan-1-amine
SMILESCCCCCCCCC(N)C1C2CCc3ccccc3C21
InChIInChI=1S/C20H31N/c1-2-3-4-5-6-7-12-18(21)20-17-14-13-15-10-8-9-11-16(15)19(17)20/h8-11,17-20H,2-7,12-14,21H2,1H3
InChIKeyUREXFHSQOACHKX-UHFFFAOYSA-N
XLogP5.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.48
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)nonan-1-ol
CID 115784012
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-ethylsulfonylbutan-1-amine
CID 115865498
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-methylsulfonylbutan-1-amine
CID 115820859
1-(2,3-dihydro-1H-inden-1-yl)undecan-1-amine
CID 65403955
1-(1,2,3,4-tetrahydronaphthalen-1-yl)decan-1-amine
CID 63418547
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-ethylbutan-1-amine
CID 115778284
1-(3,4-dihydro-1H-isochromen-1-yl)heptan-1-amine
CID 105125796
1-icosan-8-yl-1,2,3,4-tetrahydronaphthalene
CID 175494887
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 115854478
1-(difluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene
CID 132609163
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(5-bromothiophen-2-yl)ethanamine
CID 115841207
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-ethyl-5-methylhexan-1-amine
CID 105029069

Frequently Asked Questions

What is the IUPAC name of 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)nonan-1-amine?
The IUPAC name of 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)nonan-1-amine (CID 115835676) is 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)nonan-1-amine.
What is the SMILES notation for 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)nonan-1-amine?
The canonical SMILES for 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)nonan-1-amine is CCCCCCCCC(N)C1C2CCc3ccccc3C21.
What is the InChIKey of 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)nonan-1-amine?
The InChIKey is UREXFHSQOACHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-2-3-4-5-6-7-12-18(21)20-17-14-13-15-10-8-9-11-16(15)19(17)20/h8-11,17-20H,2-7,12-14,21H2,1H3.
What are the key properties of 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)nonan-1-amine?
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)nonan-1-amine has a molecular weight of 285.48 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)nonan-1-amine is sourced from PubChem (CID 115835676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).