(3Z)-3-(3-methyl-2-methylidenebutylidene)-2-propyloxetan-2-amine

C12H21NO — CID 146613339

IUPAC(3Z)-3-(3-methyl-2-methylidenebutylidene)-2-propyloxetan-2-amine
SMILESC=C(/C=C1/COC1(N)CCC)C(C)C
InChIInChI=1S/C12H21NO/c1-5-6-12(13)11(8-14-12)7-10(4)9(2)3/h7,9H,4-6,8,13H2,1-3H3/b11-7-
InChIKeyFAOFOTBEIAHBQN-XFFZJAGNSA-N
MW195.31 g/mol
LogP2.61
Rot. Bonds4

About (3Z)-3-(3-methyl-2-methylidenebutylidene)-2-propyloxetan-2-amine

(3Z)-3-(3-methyl-2-methylidenebutylidene)-2-propyloxetan-2-amine (PubChem CID 146613339) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (3Z)-3-(3-methyl-2-methylidenebutylidene)-2-propyloxetan-2-amine.

Molecular Properties

Compound Name(3Z)-3-(3-methyl-2-methylidenebutylidene)-2-propyloxetan-2-amine
PubChem CID146613339
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(3Z)-3-(3-methyl-2-methylidenebutylidene)-2-propyloxetan-2-amine
SMILESC=C(/C=C1/COC1(N)CCC)C(C)C
InChIInChI=1S/C12H21NO/c1-5-6-12(13)11(8-14-12)7-10(4)9(2)3/h7,9H,4-6,8,13H2,1-3H3/b11-7-
InChIKeyFAOFOTBEIAHBQN-XFFZJAGNSA-N
XLogP2.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(3-methyl-2-methylidenebutylidene)-2-propyloxetan-2-amine?
The IUPAC name of (3Z)-3-(3-methyl-2-methylidenebutylidene)-2-propyloxetan-2-amine (CID 146613339) is (3Z)-3-(3-methyl-2-methylidenebutylidene)-2-propyloxetan-2-amine.
What is the SMILES notation for (3Z)-3-(3-methyl-2-methylidenebutylidene)-2-propyloxetan-2-amine?
The canonical SMILES for (3Z)-3-(3-methyl-2-methylidenebutylidene)-2-propyloxetan-2-amine is C=C(/C=C1/COC1(N)CCC)C(C)C.
What is the InChIKey of (3Z)-3-(3-methyl-2-methylidenebutylidene)-2-propyloxetan-2-amine?
The InChIKey is FAOFOTBEIAHBQN-XFFZJAGNSA-N. The full InChI is InChI=1S/C12H21NO/c1-5-6-12(13)11(8-14-12)7-10(4)9(2)3/h7,9H,4-6,8,13H2,1-3H3/b11-7-.
What are the key properties of (3Z)-3-(3-methyl-2-methylidenebutylidene)-2-propyloxetan-2-amine?
(3Z)-3-(3-methyl-2-methylidenebutylidene)-2-propyloxetan-2-amine has a molecular weight of 195.31 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(3-methyl-2-methylidenebutylidene)-2-propyloxetan-2-amine is sourced from PubChem (CID 146613339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).