N-methyltricyclo[5.3.1.04,9]undec-5-en-2-amine

C12H19N — CID 546597

IUPACN-methyltricyclo[5.3.1.04,9]undec-5-en-2-amine
SMILESCNC1CC2C=CC3CC2CC1C3
InChIInChI=1S/C12H19N/c1-13-12-7-9-3-2-8-4-10(9)6-11(12)5-8/h2-3,8-13H,4-7H2,1H3
InChIKeyFJORSRQEVXPLEP-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.20
Rot. Bonds1

About N-methyltricyclo[5.3.1.04,9]undec-5-en-2-amine

N-methyltricyclo[5.3.1.04,9]undec-5-en-2-amine (PubChem CID 546597) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N-methyltricyclo[5.3.1.04,9]undec-5-en-2-amine.

Molecular Properties

Compound NameN-methyltricyclo[5.3.1.04,9]undec-5-en-2-amine
PubChem CID546597
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN-methyltricyclo[5.3.1.04,9]undec-5-en-2-amine
SMILESCNC1CC2C=CC3CC2CC1C3
InChIInChI=1S/C12H19N/c1-13-12-7-9-3-2-8-4-10(9)6-11(12)5-8/h2-3,8-13H,4-7H2,1H3
InChIKeyFJORSRQEVXPLEP-UHFFFAOYSA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 551545
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CID 14242635
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CID 129995508
CID 129995508
CID 130754173
CID 130754173
CID 58618957
CID 58618957
CID 58618959
CID 58618959
CID 58618960
CID 58618960
CID 58618962
CID 58618962
CID 58618963
CID 58618963
CID 58618964
CID 58618964

Frequently Asked Questions

What is the IUPAC name of N-methyltricyclo[5.3.1.04,9]undec-5-en-2-amine?
The IUPAC name of N-methyltricyclo[5.3.1.04,9]undec-5-en-2-amine (CID 546597) is N-methyltricyclo[5.3.1.04,9]undec-5-en-2-amine.
What is the SMILES notation for N-methyltricyclo[5.3.1.04,9]undec-5-en-2-amine?
The canonical SMILES for N-methyltricyclo[5.3.1.04,9]undec-5-en-2-amine is CNC1CC2C=CC3CC2CC1C3.
What is the InChIKey of N-methyltricyclo[5.3.1.04,9]undec-5-en-2-amine?
The InChIKey is FJORSRQEVXPLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-13-12-7-9-3-2-8-4-10(9)6-11(12)5-8/h2-3,8-13H,4-7H2,1H3.
What are the key properties of N-methyltricyclo[5.3.1.04,9]undec-5-en-2-amine?
N-methyltricyclo[5.3.1.04,9]undec-5-en-2-amine has a molecular weight of 177.29 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyltricyclo[5.3.1.04,9]undec-5-en-2-amine is sourced from PubChem (CID 546597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).