1,3-dimethyl-N-prop-1-en-2-ylcyclobutan-1-amine

C9H17N — CID 170641816

IUPAC1,3-dimethyl-N-prop-1-en-2-ylcyclobutan-1-amine
SMILESC=C(C)NC1(C)CC(C)C1
InChIInChI=1S/C9H17N/c1-7(2)10-9(4)5-8(3)6-9/h8,10H,1,5-6H2,2-4H3
InChIKeyFSYKPWLZERDIIG-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.30
Rot. Bonds2

About 1,3-dimethyl-N-prop-1-en-2-ylcyclobutan-1-amine

1,3-dimethyl-N-prop-1-en-2-ylcyclobutan-1-amine (PubChem CID 170641816) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 1,3-dimethyl-N-prop-1-en-2-ylcyclobutan-1-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-prop-1-en-2-ylcyclobutan-1-amine
PubChem CID170641816
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name1,3-dimethyl-N-prop-1-en-2-ylcyclobutan-1-amine
SMILESC=C(C)NC1(C)CC(C)C1
InChIInChI=1S/C9H17N/c1-7(2)10-9(4)5-8(3)6-9/h8,10H,1,5-6H2,2-4H3
InChIKeyFSYKPWLZERDIIG-UHFFFAOYSA-N
XLogP2.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-prop-1-en-2-ylcyclobutan-1-amine?
The IUPAC name of 1,3-dimethyl-N-prop-1-en-2-ylcyclobutan-1-amine (CID 170641816) is 1,3-dimethyl-N-prop-1-en-2-ylcyclobutan-1-amine.
What is the SMILES notation for 1,3-dimethyl-N-prop-1-en-2-ylcyclobutan-1-amine?
The canonical SMILES for 1,3-dimethyl-N-prop-1-en-2-ylcyclobutan-1-amine is C=C(C)NC1(C)CC(C)C1.
What is the InChIKey of 1,3-dimethyl-N-prop-1-en-2-ylcyclobutan-1-amine?
The InChIKey is FSYKPWLZERDIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-7(2)10-9(4)5-8(3)6-9/h8,10H,1,5-6H2,2-4H3.
What are the key properties of 1,3-dimethyl-N-prop-1-en-2-ylcyclobutan-1-amine?
1,3-dimethyl-N-prop-1-en-2-ylcyclobutan-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-prop-1-en-2-ylcyclobutan-1-amine is sourced from PubChem (CID 170641816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).