2-(cyclopropen-1-yl)-1,2,3,4-tetrahydronaphthalene;3-methylbutan-1-amine

C18H27N — CID 18314187

IUPAC2-(cyclopropen-1-yl)-1,2,3,4-tetrahydronaphthalene;3-methylbutan-1-amine
SMILESC1=C(C2CCc3ccccc3C2)C1.CC(C)CCN
InChIInChI=1S/C13H14.C5H13N/c1-2-4-12-9-13(11-5-6-11)8-7-10(12)3-1;1-5(2)3-4-6/h1-5,13H,6-9H2;5H,3-4,6H2,1-2H3
InChIKeyQQSNCZQPFMWENS-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.11
Rot. Bonds3

About 2-(cyclopropen-1-yl)-1,2,3,4-tetrahydronaphthalene;3-methylbutan-1-amine

2-(cyclopropen-1-yl)-1,2,3,4-tetrahydronaphthalene;3-methylbutan-1-amine (PubChem CID 18314187) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-(cyclopropen-1-yl)-1,2,3,4-tetrahydronaphthalene;3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(cyclopropen-1-yl)-1,2,3,4-tetrahydronaphthalene;3-methylbutan-1-amine
PubChem CID18314187
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name2-(cyclopropen-1-yl)-1,2,3,4-tetrahydronaphthalene;3-methylbutan-1-amine
SMILESC1=C(C2CCc3ccccc3C2)C1.CC(C)CCN
InChIInChI=1S/C13H14.C5H13N/c1-2-4-12-9-13(11-5-6-11)8-7-10(12)3-1;1-5(2)3-4-6/h1-5,13H,6-9H2;5H,3-4,6H2,1-2H3
InChIKeyQQSNCZQPFMWENS-UHFFFAOYSA-N
XLogP4.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropen-1-yl)-1,2,3,4-tetrahydronaphthalene;3-methylbutan-1-amine?
The IUPAC name of 2-(cyclopropen-1-yl)-1,2,3,4-tetrahydronaphthalene;3-methylbutan-1-amine (CID 18314187) is 2-(cyclopropen-1-yl)-1,2,3,4-tetrahydronaphthalene;3-methylbutan-1-amine.
What is the SMILES notation for 2-(cyclopropen-1-yl)-1,2,3,4-tetrahydronaphthalene;3-methylbutan-1-amine?
The canonical SMILES for 2-(cyclopropen-1-yl)-1,2,3,4-tetrahydronaphthalene;3-methylbutan-1-amine is C1=C(C2CCc3ccccc3C2)C1.CC(C)CCN.
What is the InChIKey of 2-(cyclopropen-1-yl)-1,2,3,4-tetrahydronaphthalene;3-methylbutan-1-amine?
The InChIKey is QQSNCZQPFMWENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14.C5H13N/c1-2-4-12-9-13(11-5-6-11)8-7-10(12)3-1;1-5(2)3-4-6/h1-5,13H,6-9H2;5H,3-4,6H2,1-2H3.
What are the key properties of 2-(cyclopropen-1-yl)-1,2,3,4-tetrahydronaphthalene;3-methylbutan-1-amine?
2-(cyclopropen-1-yl)-1,2,3,4-tetrahydronaphthalene;3-methylbutan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropen-1-yl)-1,2,3,4-tetrahydronaphthalene;3-methylbutan-1-amine is sourced from PubChem (CID 18314187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).