(1S)-5-[N-methyl-C-(2-methylprop-2-enyl)carbonimidoyl]-2,3,3a,7a-tetrahydro-1H-inden-1-amine

C15H22N2 — CID 143345699

IUPAC(1S)-5-[N-methyl-C-(2-methylprop-2-enyl)carbonimidoyl]-2,3,3a,7a-tetrahydro-1H-inden-1-amine
SMILESC=C(C)C/C(=N\C)C1=CC2CC[C@H](N)C2C=C1
InChIInChI=1S/C15H22N2/c1-10(2)8-15(17-3)12-4-6-13-11(9-12)5-7-14(13)16/h4,6,9,11,13-14H,1,5,7-8,16H2,2-3H3/b17-15+/t11?,13?,14-/m0/s1
InChIKeyOXVJTYGQAHAPQK-IQJFSSQGSA-N
MW230.35 g/mol
LogP2.87
Rot. Bonds3

About (1S)-5-[N-methyl-C-(2-methylprop-2-enyl)carbonimidoyl]-2,3,3a,7a-tetrahydro-1H-inden-1-amine

(1S)-5-[N-methyl-C-(2-methylprop-2-enyl)carbonimidoyl]-2,3,3a,7a-tetrahydro-1H-inden-1-amine (PubChem CID 143345699) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (1S)-5-[N-methyl-C-(2-methylprop-2-enyl)carbonimidoyl]-2,3,3a,7a-tetrahydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S)-5-[N-methyl-C-(2-methylprop-2-enyl)carbonimidoyl]-2,3,3a,7a-tetrahydro-1H-inden-1-amine
PubChem CID143345699
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name(1S)-5-[N-methyl-C-(2-methylprop-2-enyl)carbonimidoyl]-2,3,3a,7a-tetrahydro-1H-inden-1-amine
SMILESC=C(C)C/C(=N\C)C1=CC2CC[C@H](N)C2C=C1
InChIInChI=1S/C15H22N2/c1-10(2)8-15(17-3)12-4-6-13-11(9-12)5-7-14(13)16/h4,6,9,11,13-14H,1,5,7-8,16H2,2-3H3/b17-15+/t11?,13?,14-/m0/s1
InChIKeyOXVJTYGQAHAPQK-IQJFSSQGSA-N
XLogP2.87
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-5-[N-methyl-C-(2-methylprop-2-enyl)carbonimidoyl]-2,3,3a,7a-tetrahydro-1H-inden-1-amine?
The IUPAC name of (1S)-5-[N-methyl-C-(2-methylprop-2-enyl)carbonimidoyl]-2,3,3a,7a-tetrahydro-1H-inden-1-amine (CID 143345699) is (1S)-5-[N-methyl-C-(2-methylprop-2-enyl)carbonimidoyl]-2,3,3a,7a-tetrahydro-1H-inden-1-amine.
What is the SMILES notation for (1S)-5-[N-methyl-C-(2-methylprop-2-enyl)carbonimidoyl]-2,3,3a,7a-tetrahydro-1H-inden-1-amine?
The canonical SMILES for (1S)-5-[N-methyl-C-(2-methylprop-2-enyl)carbonimidoyl]-2,3,3a,7a-tetrahydro-1H-inden-1-amine is C=C(C)C/C(=N\C)C1=CC2CC[C@H](N)C2C=C1.
What is the InChIKey of (1S)-5-[N-methyl-C-(2-methylprop-2-enyl)carbonimidoyl]-2,3,3a,7a-tetrahydro-1H-inden-1-amine?
The InChIKey is OXVJTYGQAHAPQK-IQJFSSQGSA-N. The full InChI is InChI=1S/C15H22N2/c1-10(2)8-15(17-3)12-4-6-13-11(9-12)5-7-14(13)16/h4,6,9,11,13-14H,1,5,7-8,16H2,2-3H3/b17-15+/t11?,13?,14-/m0/s1.
What are the key properties of (1S)-5-[N-methyl-C-(2-methylprop-2-enyl)carbonimidoyl]-2,3,3a,7a-tetrahydro-1H-inden-1-amine?
(1S)-5-[N-methyl-C-(2-methylprop-2-enyl)carbonimidoyl]-2,3,3a,7a-tetrahydro-1H-inden-1-amine has a molecular weight of 230.35 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-[N-methyl-C-(2-methylprop-2-enyl)carbonimidoyl]-2,3,3a,7a-tetrahydro-1H-inden-1-amine is sourced from PubChem (CID 143345699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).