N,3-dimethyl-1-pentan-2-yloxybutan-2-amine

C11H25NO — CID 102981288

IUPACN,3-dimethyl-1-pentan-2-yloxybutan-2-amine
SMILESCCCC(C)OCC(NC)C(C)C
InChIInChI=1S/C11H25NO/c1-6-7-10(4)13-8-11(12-5)9(2)3/h9-12H,6-8H2,1-5H3
InChIKeyVEVBDTNKQVXTSL-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.44
Rot. Bonds7

About N,3-dimethyl-1-pentan-2-yloxybutan-2-amine

N,3-dimethyl-1-pentan-2-yloxybutan-2-amine (PubChem CID 102981288) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is N,3-dimethyl-1-pentan-2-yloxybutan-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-pentan-2-yloxybutan-2-amine
PubChem CID102981288
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC NameN,3-dimethyl-1-pentan-2-yloxybutan-2-amine
SMILESCCCC(C)OCC(NC)C(C)C
InChIInChI=1S/C11H25NO/c1-6-7-10(4)13-8-11(12-5)9(2)3/h9-12H,6-8H2,1-5H3
InChIKeyVEVBDTNKQVXTSL-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-N-methylhexan-3-amine
CID 64534795
3-(methoxymethyl)-N,2-dimethylheptan-4-amine
CID 83048527
2-(3-chloro-2-methylpropoxy)pentane
CID 102981443
1-(1-adamantyl)-N-methyl-2-pentan-2-yloxyethanamine
CID 102981201
3-methoxy-N,2-dimethylheptan-4-amine
CID 116719993
1-bromo-2-(pentan-2-yloxymethyl)butane
CID 102981445
1-methoxy-3-pentan-2-yloxy-N-propylpropan-2-amine
CID 107506976
N,4,8,9-tetramethyldecan-5-amine
CID 123786159
6-[2-(2-butoxyethoxy)ethoxy]-N,2-dimethylhexan-3-amine
CID 104564547
1-(2,4-dimethoxyphenyl)-N-methyl-2-pentan-2-yloxyethanamine
CID 102981296
(4S)-N,2,3-trimethylhept-1-en-4-amine
CID 174109197
[3-methyl-2-(methylamino)butyl] carbamate
CID 174859482

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-pentan-2-yloxybutan-2-amine?
The IUPAC name of N,3-dimethyl-1-pentan-2-yloxybutan-2-amine (CID 102981288) is N,3-dimethyl-1-pentan-2-yloxybutan-2-amine.
What is the SMILES notation for N,3-dimethyl-1-pentan-2-yloxybutan-2-amine?
The canonical SMILES for N,3-dimethyl-1-pentan-2-yloxybutan-2-amine is CCCC(C)OCC(NC)C(C)C.
What is the InChIKey of N,3-dimethyl-1-pentan-2-yloxybutan-2-amine?
The InChIKey is VEVBDTNKQVXTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-6-7-10(4)13-8-11(12-5)9(2)3/h9-12H,6-8H2,1-5H3.
What are the key properties of N,3-dimethyl-1-pentan-2-yloxybutan-2-amine?
N,3-dimethyl-1-pentan-2-yloxybutan-2-amine has a molecular weight of 187.33 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-pentan-2-yloxybutan-2-amine is sourced from PubChem (CID 102981288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).