N-methyl-3-propan-2-yloxy-N-prop-1-en-2-ylbutan-1-amine;propane

C14H31NO — CID 177327003

IUPACN-methyl-3-propan-2-yloxy-N-prop-1-en-2-ylbutan-1-amine;propane
SMILESC=C(C)N(C)CCC(C)OC(C)C.CCC
InChIInChI=1S/C11H23NO.C3H8/c1-9(2)12(6)8-7-11(5)13-10(3)4;1-3-2/h10-11H,1,7-8H2,2-6H3;3H2,1-2H3
InChIKeyHRMZENWLKFCLIN-UHFFFAOYSA-N
MW229.41 g/mol
LogP4.07
Rot. Bonds6

About N-methyl-3-propan-2-yloxy-N-prop-1-en-2-ylbutan-1-amine;propane

N-methyl-3-propan-2-yloxy-N-prop-1-en-2-ylbutan-1-amine;propane (PubChem CID 177327003) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is N-methyl-3-propan-2-yloxy-N-prop-1-en-2-ylbutan-1-amine;propane.

Molecular Properties

Compound NameN-methyl-3-propan-2-yloxy-N-prop-1-en-2-ylbutan-1-amine;propane
PubChem CID177327003
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC NameN-methyl-3-propan-2-yloxy-N-prop-1-en-2-ylbutan-1-amine;propane
SMILESC=C(C)N(C)CCC(C)OC(C)C.CCC
InChIInChI=1S/C11H23NO.C3H8/c1-9(2)12(6)8-7-11(5)13-10(3)4;1-3-2/h10-11H,1,7-8H2,2-6H3;3H2,1-2H3
InChIKeyHRMZENWLKFCLIN-UHFFFAOYSA-N
XLogP4.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-methyl-3-propan-2-yloxy-N-prop-1-en-2-ylbutan-1-amine;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-propan-2-yloxy-N-prop-1-en-2-ylbutan-1-amine;propane?
The IUPAC name of N-methyl-3-propan-2-yloxy-N-prop-1-en-2-ylbutan-1-amine;propane (CID 177327003) is N-methyl-3-propan-2-yloxy-N-prop-1-en-2-ylbutan-1-amine;propane.
What is the SMILES notation for N-methyl-3-propan-2-yloxy-N-prop-1-en-2-ylbutan-1-amine;propane?
The canonical SMILES for N-methyl-3-propan-2-yloxy-N-prop-1-en-2-ylbutan-1-amine;propane is C=C(C)N(C)CCC(C)OC(C)C.CCC.
What is the InChIKey of N-methyl-3-propan-2-yloxy-N-prop-1-en-2-ylbutan-1-amine;propane?
The InChIKey is HRMZENWLKFCLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO.C3H8/c1-9(2)12(6)8-7-11(5)13-10(3)4;1-3-2/h10-11H,1,7-8H2,2-6H3;3H2,1-2H3.
What are the key properties of N-methyl-3-propan-2-yloxy-N-prop-1-en-2-ylbutan-1-amine;propane?
N-methyl-3-propan-2-yloxy-N-prop-1-en-2-ylbutan-1-amine;propane has a molecular weight of 229.41 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-propan-2-yloxy-N-prop-1-en-2-ylbutan-1-amine;propane is sourced from PubChem (CID 177327003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).