N-(cyclopropylmethyl)-4-methoxy-N-methylbutan-2-amine;propane

C13H29NO — CID 145137527

IUPACN-(cyclopropylmethyl)-4-methoxy-N-methylbutan-2-amine;propane
SMILESCCC.COCCC(C)N(C)CC1CC1
InChIInChI=1S/C10H21NO.C3H8/c1-9(6-7-12-3)11(2)8-10-4-5-10;1-3-2/h9-10H,4-8H2,1-3H3;3H2,1-2H3
InChIKeyVAOHLVASIFALNJ-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.17
Rot. Bonds6

About N-(cyclopropylmethyl)-4-methoxy-N-methylbutan-2-amine;propane

N-(cyclopropylmethyl)-4-methoxy-N-methylbutan-2-amine;propane (PubChem CID 145137527) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-methoxy-N-methylbutan-2-amine;propane.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-methoxy-N-methylbutan-2-amine;propane
PubChem CID145137527
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC NameN-(cyclopropylmethyl)-4-methoxy-N-methylbutan-2-amine;propane
SMILESCCC.COCCC(C)N(C)CC1CC1
InChIInChI=1S/C10H21NO.C3H8/c1-9(6-7-12-3)11(2)8-10-4-5-10;1-3-2/h9-10H,4-8H2,1-3H3;3H2,1-2H3
InChIKeyVAOHLVASIFALNJ-UHFFFAOYSA-N
XLogP3.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-methoxy-N-methylbutan-2-amine;propane?
The IUPAC name of N-(cyclopropylmethyl)-4-methoxy-N-methylbutan-2-amine;propane (CID 145137527) is N-(cyclopropylmethyl)-4-methoxy-N-methylbutan-2-amine;propane.
What is the SMILES notation for N-(cyclopropylmethyl)-4-methoxy-N-methylbutan-2-amine;propane?
The canonical SMILES for N-(cyclopropylmethyl)-4-methoxy-N-methylbutan-2-amine;propane is CCC.COCCC(C)N(C)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-4-methoxy-N-methylbutan-2-amine;propane?
The InChIKey is VAOHLVASIFALNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.C3H8/c1-9(6-7-12-3)11(2)8-10-4-5-10;1-3-2/h9-10H,4-8H2,1-3H3;3H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-4-methoxy-N-methylbutan-2-amine;propane?
N-(cyclopropylmethyl)-4-methoxy-N-methylbutan-2-amine;propane has a molecular weight of 215.38 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-methoxy-N-methylbutan-2-amine;propane is sourced from PubChem (CID 145137527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).