1-[2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethenyl]cyclopropan-1-amine

C15H25N — CID 56636620

IUPAC1-[2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethenyl]cyclopropan-1-amine
SMILESCC12CCC(C1)C(C)(C)C2C=CC1(N)CC1
InChIInChI=1S/C15H25N/c1-13(2)11-4-6-14(3,10-11)12(13)5-7-15(16)8-9-15/h5,7,11-12H,4,6,8-10,16H2,1-3H3
InChIKeyYJWAQBGCOYMTOT-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.50
Rot. Bonds2

About 1-[2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethenyl]cyclopropan-1-amine

1-[2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethenyl]cyclopropan-1-amine (PubChem CID 56636620) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 1-[2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethenyl]cyclopropan-1-amine
PubChem CID56636620
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name1-[2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethenyl]cyclopropan-1-amine
SMILESCC12CCC(C1)C(C)(C)C2C=CC1(N)CC1
InChIInChI=1S/C15H25N/c1-13(2)11-4-6-14(3,10-11)12(13)5-7-15(16)8-9-15/h5,7,11-12H,4,6,8-10,16H2,1-3H3
InChIKeyYJWAQBGCOYMTOT-UHFFFAOYSA-N
XLogP3.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.50
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 1-[2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethenyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethenyl]cyclopropan-1-amine (CID 56636620) is 1-[2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethenyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethenyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethenyl]cyclopropan-1-amine is CC12CCC(C1)C(C)(C)C2C=CC1(N)CC1.
What is the InChIKey of 1-[2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethenyl]cyclopropan-1-amine?
The InChIKey is YJWAQBGCOYMTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-13(2)11-4-6-14(3,10-11)12(13)5-7-15(16)8-9-15/h5,7,11-12H,4,6,8-10,16H2,1-3H3.
What are the key properties of 1-[2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethenyl]cyclopropan-1-amine?
1-[2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethenyl]cyclopropan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethenyl]cyclopropan-1-amine is sourced from PubChem (CID 56636620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).