2-methyl-N-(oxolan-3-ylmethyl)butan-1-amine

C10H21NO — CID 60919551

IUPAC2-methyl-N-(oxolan-3-ylmethyl)butan-1-amine
SMILESCCC(C)CNCC1CCOC1
InChIInChI=1S/C10H21NO/c1-3-9(2)6-11-7-10-4-5-12-8-10/h9-11H,3-8H2,1-2H3
InChIKeyYIYLTLHHZMGHHS-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.66
Rot. Bonds5

About 2-methyl-N-(oxolan-3-ylmethyl)butan-1-amine

2-methyl-N-(oxolan-3-ylmethyl)butan-1-amine (PubChem CID 60919551) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-methyl-N-(oxolan-3-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(oxolan-3-ylmethyl)butan-1-amine
PubChem CID60919551
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-methyl-N-(oxolan-3-ylmethyl)butan-1-amine
SMILESCCC(C)CNCC1CCOC1
InChIInChI=1S/C10H21NO/c1-3-9(2)6-11-7-10-4-5-12-8-10/h9-11H,3-8H2,1-2H3
InChIKeyYIYLTLHHZMGHHS-UHFFFAOYSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(oxan-4-ylmethyl)butan-1-amine
CID 62694542
2-methyl-3-methylsulfanyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 63982996
4-methyl-5-(oxolan-3-ylmethylamino)pentan-2-ol
CID 115887655
2-chloro-N-(oxolan-3-ylmethyl)propan-1-amine
CID 65024238
2,2-diethoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 79548553
3-ethyl-2-N,2-N-dimethyl-1-N-(oxolan-3-ylmethyl)pentane-1,2-diamine
CID 43208014
2,2-dimethoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 60815560
N-(cyclopentylmethyl)-2-methylbutan-1-amine
CID 43370775
2-N,2-N,3-trimethyl-1-N-(oxolan-3-ylmethyl)butane-1,2-diamine
CID 43205527
N-(oxolan-3-ylmethyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 115887265
3,3-dimethyl-1-(oxolan-3-ylmethylamino)butan-2-ol
CID 115887516
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(oxolan-3-ylmethyl)butan-1-amine?
The IUPAC name of 2-methyl-N-(oxolan-3-ylmethyl)butan-1-amine (CID 60919551) is 2-methyl-N-(oxolan-3-ylmethyl)butan-1-amine.
What is the SMILES notation for 2-methyl-N-(oxolan-3-ylmethyl)butan-1-amine?
The canonical SMILES for 2-methyl-N-(oxolan-3-ylmethyl)butan-1-amine is CCC(C)CNCC1CCOC1.
What is the InChIKey of 2-methyl-N-(oxolan-3-ylmethyl)butan-1-amine?
The InChIKey is YIYLTLHHZMGHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-9(2)6-11-7-10-4-5-12-8-10/h9-11H,3-8H2,1-2H3.
What are the key properties of 2-methyl-N-(oxolan-3-ylmethyl)butan-1-amine?
2-methyl-N-(oxolan-3-ylmethyl)butan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(oxolan-3-ylmethyl)butan-1-amine is sourced from PubChem (CID 60919551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).