1-cyclopropyl-3-methoxy-3-methyl-N-propylbutan-2-amine

C12H25NO — CID 79198161

IUPAC1-cyclopropyl-3-methoxy-3-methyl-N-propylbutan-2-amine
SMILESCCCNC(CC1CC1)C(C)(C)OC
InChIInChI=1S/C12H25NO/c1-5-8-13-11(9-10-6-7-10)12(2,3)14-4/h10-11,13H,5-9H2,1-4H3
InChIKeyBJNGXGRKHBGSJR-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds7

About 1-cyclopropyl-3-methoxy-3-methyl-N-propylbutan-2-amine

1-cyclopropyl-3-methoxy-3-methyl-N-propylbutan-2-amine (PubChem CID 79198161) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-cyclopropyl-3-methoxy-3-methyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-3-methoxy-3-methyl-N-propylbutan-2-amine
PubChem CID79198161
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-cyclopropyl-3-methoxy-3-methyl-N-propylbutan-2-amine
SMILESCCCNC(CC1CC1)C(C)(C)OC
InChIInChI=1S/C12H25NO/c1-5-8-13-11(9-10-6-7-10)12(2,3)14-4/h10-11,13H,5-9H2,1-4H3
InChIKeyBJNGXGRKHBGSJR-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-3-methoxy-3-methyl-N-propylbutan-2-amine
CID 79196998
1-cyclopentyl-N-ethyl-3-methoxy-3-methylbutan-2-amine
CID 79197910
3-cyclopropyl-1,1,1-trifluoro-N-propylpropan-2-amine
CID 115692645
3-(azepan-1-yl)-1-cyclopropyl-3-methyl-N-propylbutan-2-amine
CID 79051842
2-methoxy-2-methyl-N-propylhex-5-en-3-amine
CID 79198169
2,6-dimethoxy-2,6-dimethyl-N-propylheptan-3-amine
CID 103032439
2-methoxy-2-methyl-N-propyldecan-3-amine
CID 79198158
1-cyclopropyl-N-ethyl-4-methoxy-4-methylpentan-3-amine
CID 79197921
2-methoxy-2,5-dimethyl-N-propylhex-5-en-3-amine
CID 79198392
2-methoxy-2,5-dimethyl-N-propyloctan-3-amine
CID 79198397
3-methoxy-1-(3-methoxypropoxy)-3-methyl-N-propylbutan-2-amine
CID 114228672
1-cycloheptyl-5-methoxy-5-methyl-N-propylhexan-2-amine
CID 103032084

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-methoxy-3-methyl-N-propylbutan-2-amine?
The IUPAC name of 1-cyclopropyl-3-methoxy-3-methyl-N-propylbutan-2-amine (CID 79198161) is 1-cyclopropyl-3-methoxy-3-methyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-cyclopropyl-3-methoxy-3-methyl-N-propylbutan-2-amine?
The canonical SMILES for 1-cyclopropyl-3-methoxy-3-methyl-N-propylbutan-2-amine is CCCNC(CC1CC1)C(C)(C)OC.
What is the InChIKey of 1-cyclopropyl-3-methoxy-3-methyl-N-propylbutan-2-amine?
The InChIKey is BJNGXGRKHBGSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-8-13-11(9-10-6-7-10)12(2,3)14-4/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 1-cyclopropyl-3-methoxy-3-methyl-N-propylbutan-2-amine?
1-cyclopropyl-3-methoxy-3-methyl-N-propylbutan-2-amine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-methoxy-3-methyl-N-propylbutan-2-amine is sourced from PubChem (CID 79198161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).