N-methyl-3-[[2-methyl-3-(methylamino)pentoxy]methyl]pentan-2-amine

C14H32N2O — CID 163446158

IUPACN-methyl-3-[[2-methyl-3-(methylamino)pentoxy]methyl]pentan-2-amine
SMILESCCC(COCC(C)C(CC)NC)C(C)NC
InChIInChI=1S/C14H32N2O/c1-7-13(12(4)15-5)10-17-9-11(3)14(8-2)16-6/h11-16H,7-10H2,1-6H3
InChIKeyBCSAYFAIFCVBML-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.27
Rot. Bonds10

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

N-methyl-3-[[2-methyl-3-(methylamino)pentoxy]methyl]pentan-2-amine (PubChem CID 163446158) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is N-methyl-3-[[2-methyl-3-(methylamino)pentoxy]methyl]pentan-2-amine.

Molecular Properties

Compound NameN-methyl-3-[[2-methyl-3-(methylamino)pentoxy]methyl]pentan-2-amine
PubChem CID163446158
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC NameN-methyl-3-[[2-methyl-3-(methylamino)pentoxy]methyl]pentan-2-amine
SMILESCCC(COCC(C)C(CC)NC)C(C)NC
InChIInChI=1S/C14H32N2O/c1-7-13(12(4)15-5)10-17-9-11(3)14(8-2)16-6/h11-16H,7-10H2,1-6H3
InChIKeyBCSAYFAIFCVBML-UHFFFAOYSA-N
XLogP2.27
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-methyl-3-[[2-methyl-3-(methylamino)pentoxy]methyl]pentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-methyl-3-(methylamino)butoxy]methyl]pentan-2-amine
CID 163528878
N,4-dimethylhexan-3-amine
CID 63559808
4-ethyl-N-methylhexan-3-amine
CID 79307570
N,4,8-trimethylnonan-3-amine
CID 83158813
5-ethoxy-3-ethyl-N-methylpentan-2-amine
CID 60999751
8-methoxy-N,4-dimethyloctan-3-amine
CID 104648384
3,5-diethyl-N-methylheptan-2-amine
CID 82928045
3-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-N-methylpentan-2-amine
CID 104564561
3-ethyl-N,4-dimethylhexan-2-amine
CID 163950897
(4R)-3-ethyl-4-methylhexane
CID 59954491
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N,3-dimethylpentan-2-amine
CID 104560546
1-[2-(2-methoxyethoxy)ethoxy]-N,3-dimethylpentan-2-amine
CID 104560721

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[2-methyl-3-(methylamino)pentoxy]methyl]pentan-2-amine?
The IUPAC name of N-methyl-3-[[2-methyl-3-(methylamino)pentoxy]methyl]pentan-2-amine (CID 163446158) is N-methyl-3-[[2-methyl-3-(methylamino)pentoxy]methyl]pentan-2-amine.
What is the SMILES notation for N-methyl-3-[[2-methyl-3-(methylamino)pentoxy]methyl]pentan-2-amine?
The canonical SMILES for N-methyl-3-[[2-methyl-3-(methylamino)pentoxy]methyl]pentan-2-amine is CCC(COCC(C)C(CC)NC)C(C)NC.
What is the InChIKey of N-methyl-3-[[2-methyl-3-(methylamino)pentoxy]methyl]pentan-2-amine?
The InChIKey is BCSAYFAIFCVBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-7-13(12(4)15-5)10-17-9-11(3)14(8-2)16-6/h11-16H,7-10H2,1-6H3.
What are the key properties of N-methyl-3-[[2-methyl-3-(methylamino)pentoxy]methyl]pentan-2-amine?
N-methyl-3-[[2-methyl-3-(methylamino)pentoxy]methyl]pentan-2-amine has a molecular weight of 244.42 g/mol, XLogP of 2.27, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[2-methyl-3-(methylamino)pentoxy]methyl]pentan-2-amine is sourced from PubChem (CID 163446158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).