1,3,3-tricyclopropylprop-1-en-2-amine

C12H19N — CID 70461789

IUPAC1,3,3-tricyclopropylprop-1-en-2-amine
SMILESNC(=CC1CC1)C(C1CC1)C1CC1
InChIInChI=1S/C12H19N/c13-11(7-8-1-2-8)12(9-3-4-9)10-5-6-10/h7-10,12H,1-6,13H2
InChIKeyGDDSJGBWDGXNBI-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.68
Rot. Bonds4

About 1,3,3-tricyclopropylprop-1-en-2-amine

1,3,3-tricyclopropylprop-1-en-2-amine (PubChem CID 70461789) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 1,3,3-tricyclopropylprop-1-en-2-amine.

Molecular Properties

Compound Name1,3,3-tricyclopropylprop-1-en-2-amine
PubChem CID70461789
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name1,3,3-tricyclopropylprop-1-en-2-amine
SMILESNC(=CC1CC1)C(C1CC1)C1CC1
InChIInChI=1S/C12H19N/c13-11(7-8-1-2-8)12(9-3-4-9)10-5-6-10/h7-10,12H,1-6,13H2
InChIKeyGDDSJGBWDGXNBI-UHFFFAOYSA-N
XLogP2.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-tricyclopropylprop-1-en-2-amine?
The IUPAC name of 1,3,3-tricyclopropylprop-1-en-2-amine (CID 70461789) is 1,3,3-tricyclopropylprop-1-en-2-amine.
What is the SMILES notation for 1,3,3-tricyclopropylprop-1-en-2-amine?
The canonical SMILES for 1,3,3-tricyclopropylprop-1-en-2-amine is NC(=CC1CC1)C(C1CC1)C1CC1.
What is the InChIKey of 1,3,3-tricyclopropylprop-1-en-2-amine?
The InChIKey is GDDSJGBWDGXNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c13-11(7-8-1-2-8)12(9-3-4-9)10-5-6-10/h7-10,12H,1-6,13H2.
What are the key properties of 1,3,3-tricyclopropylprop-1-en-2-amine?
1,3,3-tricyclopropylprop-1-en-2-amine has a molecular weight of 177.29 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-tricyclopropylprop-1-en-2-amine is sourced from PubChem (CID 70461789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).