1-cyclopropyl-N-methyl-4-(oxan-2-yl)butan-2-amine

C13H25NO — CID 104986559

IUPAC1-cyclopropyl-N-methyl-4-(oxan-2-yl)butan-2-amine
SMILESCNC(CCC1CCCCO1)CC1CC1
InChIInChI=1S/C13H25NO/c1-14-12(10-11-5-6-11)7-8-13-4-2-3-9-15-13/h11-14H,2-10H2,1H3
InChIKeyLJDVGNDAVFGKBO-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.72
Rot. Bonds6

About 1-cyclopropyl-N-methyl-4-(oxan-2-yl)butan-2-amine

1-cyclopropyl-N-methyl-4-(oxan-2-yl)butan-2-amine (PubChem CID 104986559) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-4-(oxan-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-4-(oxan-2-yl)butan-2-amine
PubChem CID104986559
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-cyclopropyl-N-methyl-4-(oxan-2-yl)butan-2-amine
SMILESCNC(CCC1CCCCO1)CC1CC1
InChIInChI=1S/C13H25NO/c1-14-12(10-11-5-6-11)7-8-13-4-2-3-9-15-13/h11-14H,2-10H2,1H3
InChIKeyLJDVGNDAVFGKBO-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethylsulfanyl-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 65164170
1-cyclopentyl-N-methyl-3-(oxolan-2-yl)propan-2-amine
CID 62602079
1-(3-ethoxycyclobutyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 103168865
1-(4-ethylcyclohexyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 104991042
N-methyl-1-methylsulfonyl-5-(oxan-2-yl)pentan-3-amine
CID 115848636
N-methyl-1-(oxan-2-yl)oct-7-yn-3-amine
CID 105034116
1,1,1-trifluoro-N-methyl-5-(oxolan-2-yl)pentan-3-amine
CID 65164288
1-(3,5-difluorophenyl)-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 105412438
N-methyl-4-(oxan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-amine
CID 115829168
N,5-dimethyl-1-(oxan-2-yl)hex-4-en-3-amine
CID 105004925
1-(3,4-dimethylphenyl)-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 63952361
1-cyclopentyl-4-(oxan-2-yl)butan-2-ol
CID 115789825

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-4-(oxan-2-yl)butan-2-amine?
The IUPAC name of 1-cyclopropyl-N-methyl-4-(oxan-2-yl)butan-2-amine (CID 104986559) is 1-cyclopropyl-N-methyl-4-(oxan-2-yl)butan-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-4-(oxan-2-yl)butan-2-amine?
The canonical SMILES for 1-cyclopropyl-N-methyl-4-(oxan-2-yl)butan-2-amine is CNC(CCC1CCCCO1)CC1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-4-(oxan-2-yl)butan-2-amine?
The InChIKey is LJDVGNDAVFGKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-14-12(10-11-5-6-11)7-8-13-4-2-3-9-15-13/h11-14H,2-10H2,1H3.
What are the key properties of 1-cyclopropyl-N-methyl-4-(oxan-2-yl)butan-2-amine?
1-cyclopropyl-N-methyl-4-(oxan-2-yl)butan-2-amine has a molecular weight of 211.35 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-4-(oxan-2-yl)butan-2-amine is sourced from PubChem (CID 104986559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).