3-[[2-methyl-3-(methylamino)butoxy]methyl]pentan-2-amine

C12H28N2O — CID 163528878

IUPAC3-[[2-methyl-3-(methylamino)butoxy]methyl]pentan-2-amine
SMILESCCC(COCC(C)C(C)NC)C(C)N
InChIInChI=1S/C12H28N2O/c1-6-12(10(3)13)8-15-7-9(2)11(4)14-5/h9-12,14H,6-8,13H2,1-5H3
InChIKeyDREJAHMKRYDIDM-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.62
Rot. Bonds8

About 3-[[2-methyl-3-(methylamino)butoxy]methyl]pentan-2-amine

3-[[2-methyl-3-(methylamino)butoxy]methyl]pentan-2-amine (PubChem CID 163528878) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 3-[[2-methyl-3-(methylamino)butoxy]methyl]pentan-2-amine.

Molecular Properties

Compound Name3-[[2-methyl-3-(methylamino)butoxy]methyl]pentan-2-amine
PubChem CID163528878
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name3-[[2-methyl-3-(methylamino)butoxy]methyl]pentan-2-amine
SMILESCCC(COCC(C)C(C)NC)C(C)N
InChIInChI=1S/C12H28N2O/c1-6-12(10(3)13)8-15-7-9(2)11(4)14-5/h9-12,14H,6-8,13H2,1-5H3
InChIKeyDREJAHMKRYDIDM-UHFFFAOYSA-N
XLogP1.62
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-[[2-methyl-3-(methylamino)pentoxy]methyl]pentan-2-amine
CID 163446158
3-(methoxymethyl)pentan-2-amine
CID 66437856
4-methyl-4-[2-methyl-3-(methylamino)butoxy]hexan-2-amine
CID 89159418
3-ethyl-N,4-dimethylhexan-2-amine
CID 163950897
5-ethoxy-3-ethyl-N-methylpentan-2-amine
CID 60999751
(3R,4R,5R,6S)-3,6-dimethyloctane-4,5-diamine
CID 101057431
(2R)-3-N-methylbutane-2,3-diamine
CID 138713984
(3S)-3-N-methylbutane-2,3-diamine
CID 83349931
(4R)-3-ethyl-4-methylhexane
CID 59954491
(2R)-2-amino-4-methylhexan-3-ol
CID 164643928
N-methyl-1-[2-(methylamino)butoxy]butan-2-amine
CID 90079765
3,5-diethyl-N-methylheptan-2-amine
CID 82928045

Frequently Asked Questions

What is the IUPAC name of 3-[[2-methyl-3-(methylamino)butoxy]methyl]pentan-2-amine?
The IUPAC name of 3-[[2-methyl-3-(methylamino)butoxy]methyl]pentan-2-amine (CID 163528878) is 3-[[2-methyl-3-(methylamino)butoxy]methyl]pentan-2-amine.
What is the SMILES notation for 3-[[2-methyl-3-(methylamino)butoxy]methyl]pentan-2-amine?
The canonical SMILES for 3-[[2-methyl-3-(methylamino)butoxy]methyl]pentan-2-amine is CCC(COCC(C)C(C)NC)C(C)N.
What is the InChIKey of 3-[[2-methyl-3-(methylamino)butoxy]methyl]pentan-2-amine?
The InChIKey is DREJAHMKRYDIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-6-12(10(3)13)8-15-7-9(2)11(4)14-5/h9-12,14H,6-8,13H2,1-5H3.
What are the key properties of 3-[[2-methyl-3-(methylamino)butoxy]methyl]pentan-2-amine?
3-[[2-methyl-3-(methylamino)butoxy]methyl]pentan-2-amine has a molecular weight of 216.37 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-methyl-3-(methylamino)butoxy]methyl]pentan-2-amine is sourced from PubChem (CID 163528878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).