1,2,3,4,4a,8a-hexahydronaphthalene;methanamine

C11H19N — CID 143180898

IUPAC1,2,3,4,4a,8a-hexahydronaphthalene;methanamine
SMILESC1=CC2CCCCC2C=C1.CN
InChIInChI=1S/C10H14.CH5N/c1-2-6-10-8-4-3-7-9(10)5-1;1-2/h1-2,5-6,9-10H,3-4,7-8H2;2H2,1H3
InChIKeyDOSKCDQCRNHNBB-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.49
Rot. Bonds

About 1,2,3,4,4a,8a-hexahydronaphthalene;methanamine

1,2,3,4,4a,8a-hexahydronaphthalene;methanamine (PubChem CID 143180898) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1,2,3,4,4a,8a-hexahydronaphthalene;methanamine.

Molecular Properties

Compound Name1,2,3,4,4a,8a-hexahydronaphthalene;methanamine
PubChem CID143180898
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1,2,3,4,4a,8a-hexahydronaphthalene;methanamine
SMILESC1=CC2CCCCC2C=C1.CN
InChIInChI=1S/C10H14.CH5N/c1-2-6-10-8-4-3-7-9(10)5-1;1-2/h1-2,5-6,9-10H,3-4,7-8H2;2H2,1H3
InChIKeyDOSKCDQCRNHNBB-UHFFFAOYSA-N
XLogP2.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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cis-(1R,2S)-1,2-dimethylcyclohexane;methanamine
CID 142167756
2-cyclohexyl-2,3,3a,7a-tetrahydro-1H-indene
CID 123436446
(1S)-1,2-dimethyl-2,3,3a,7a-tetrahydro-1H-indene
CID 140862858
1,2,3,4,5,6,6a,10a-octahydro-1-benzazocine
CID 19879771
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CID 23232464
5-cyclohepta-2,4-dien-1-ylcyclohepta-1,3-diene
CID 13115978
ethane;spiro[2,3,4a,8a-tetrahydro-1H-naphthalene-4,1'-cyclopentane]
CID 153348404
tetracyclo[7.7.1.02,7.010,15]heptadeca-3,5,11,13-tetraene
CID 59047597
2,3,3a,7a-tetrahydro-1H-inden-1-yl(dimethyl)phosphane
CID 59930608

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,8a-hexahydronaphthalene;methanamine?
The IUPAC name of 1,2,3,4,4a,8a-hexahydronaphthalene;methanamine (CID 143180898) is 1,2,3,4,4a,8a-hexahydronaphthalene;methanamine.
What is the SMILES notation for 1,2,3,4,4a,8a-hexahydronaphthalene;methanamine?
The canonical SMILES for 1,2,3,4,4a,8a-hexahydronaphthalene;methanamine is C1=CC2CCCCC2C=C1.CN.
What is the InChIKey of 1,2,3,4,4a,8a-hexahydronaphthalene;methanamine?
The InChIKey is DOSKCDQCRNHNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.CH5N/c1-2-6-10-8-4-3-7-9(10)5-1;1-2/h1-2,5-6,9-10H,3-4,7-8H2;2H2,1H3.
What are the key properties of 1,2,3,4,4a,8a-hexahydronaphthalene;methanamine?
1,2,3,4,4a,8a-hexahydronaphthalene;methanamine has a molecular weight of 165.28 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,8a-hexahydronaphthalene;methanamine is sourced from PubChem (CID 143180898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).