N-propan-2-yltricyclo[5.3.1.02,6]undec-3-en-9-amine

C14H23N — CID 70332435

IUPACN-propan-2-yltricyclo[5.3.1.02,6]undec-3-en-9-amine
SMILESCC(C)NC1CC2CC(C1)C1CC=CC21
InChIInChI=1S/C14H23N/c1-9(2)15-12-7-10-6-11(8-12)14-5-3-4-13(10)14/h3-4,9-15H,5-8H2,1-2H3
InChIKeyYCQLLMPMNRQAQW-UHFFFAOYSA-N
MW205.34 g/mol
LogP2.98
Rot. Bonds2

About N-propan-2-yltricyclo[5.3.1.02,6]undec-3-en-9-amine

N-propan-2-yltricyclo[5.3.1.02,6]undec-3-en-9-amine (PubChem CID 70332435) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is N-propan-2-yltricyclo[5.3.1.02,6]undec-3-en-9-amine.

Molecular Properties

Compound NameN-propan-2-yltricyclo[5.3.1.02,6]undec-3-en-9-amine
PubChem CID70332435
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC NameN-propan-2-yltricyclo[5.3.1.02,6]undec-3-en-9-amine
SMILESCC(C)NC1CC2CC(C1)C1CC=CC21
InChIInChI=1S/C14H23N/c1-9(2)15-12-7-10-6-11(8-12)14-5-3-4-13(10)14/h3-4,9-15H,5-8H2,1-2H3
InChIKeyYCQLLMPMNRQAQW-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 52.98
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 N-propan-2-yltricyclo[5.3.1.02,6]undec-3-en-9-amine?
The IUPAC name of N-propan-2-yltricyclo[5.3.1.02,6]undec-3-en-9-amine (CID 70332435) is N-propan-2-yltricyclo[5.3.1.02,6]undec-3-en-9-amine.
What is the SMILES notation for N-propan-2-yltricyclo[5.3.1.02,6]undec-3-en-9-amine?
The canonical SMILES for N-propan-2-yltricyclo[5.3.1.02,6]undec-3-en-9-amine is CC(C)NC1CC2CC(C1)C1CC=CC21.
What is the InChIKey of N-propan-2-yltricyclo[5.3.1.02,6]undec-3-en-9-amine?
The InChIKey is YCQLLMPMNRQAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-9(2)15-12-7-10-6-11(8-12)14-5-3-4-13(10)14/h3-4,9-15H,5-8H2,1-2H3.
What are the key properties of N-propan-2-yltricyclo[5.3.1.02,6]undec-3-en-9-amine?
N-propan-2-yltricyclo[5.3.1.02,6]undec-3-en-9-amine has a molecular weight of 205.34 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yltricyclo[5.3.1.02,6]undec-3-en-9-amine is sourced from PubChem (CID 70332435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).