4-methyl-N-[2-[2-(4-methylpentan-2-ylamino)ethoxy]ethyl]pentan-2-amine

C16H36N2O — CID 18338936

IUPAC4-methyl-N-[2-[2-(4-methylpentan-2-ylamino)ethoxy]ethyl]pentan-2-amine
SMILESCC(C)CC(C)NCCOCCNC(C)CC(C)C
InChIInChI=1S/C16H36N2O/c1-13(2)11-15(5)17-7-9-19-10-8-18-16(6)12-14(3)4/h13-18H,7-12H2,1-6H3
InChIKeyKGWRAKZBTSDWFO-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.05
Rot. Bonds12

About 4-methyl-N-[2-[2-(4-methylpentan-2-ylamino)ethoxy]ethyl]pentan-2-amine

4-methyl-N-[2-[2-(4-methylpentan-2-ylamino)ethoxy]ethyl]pentan-2-amine (PubChem CID 18338936) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is 4-methyl-N-[2-[2-(4-methylpentan-2-ylamino)ethoxy]ethyl]pentan-2-amine.

Molecular Properties

Compound Name4-methyl-N-[2-[2-(4-methylpentan-2-ylamino)ethoxy]ethyl]pentan-2-amine
PubChem CID18338936
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC Name4-methyl-N-[2-[2-(4-methylpentan-2-ylamino)ethoxy]ethyl]pentan-2-amine
SMILESCC(C)CC(C)NCCOCCNC(C)CC(C)C
InChIInChI=1S/C16H36N2O/c1-13(2)11-15(5)17-7-9-19-10-8-18-16(6)12-14(3)4/h13-18H,7-12H2,1-6H3
InChIKeyKGWRAKZBTSDWFO-UHFFFAOYSA-N
XLogP3.05
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine
CID 61490525
N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpentan-2-amine
CID 103082762
1-methoxy-N,4-dimethylpentan-2-amine
CID 13140129
(2S)-1-methoxy-N,4-dimethylpentan-2-amine
CID 13140130
4-methyl-N-[3-[2-[2-[3-(4-methylpentan-2-ylamino)propoxy]ethoxy]ethoxy]propyl]pentan-2-amine
CID 18338937
4-methyl-N-[3-[3-(4-methylpentan-2-ylamino)propoxy]propyl]pentan-2-amine
CID 18338938
(2S)-1-ethoxy-N-ethyl-4-methylpentan-2-amine
CID 18649579
(2S)-1-ethoxy-N,4-dimethylpentan-2-amine
CID 18649582
4-methyl-N-[3-(2-methylpropoxy)propyl]pentan-2-amine
CID 21355570
N-[(2S)-1-methoxypropan-2-yl]-3-methylbutan-1-amine
CID 28441871
N-(1-methoxypropan-2-yl)-3-methylbutan-1-amine
CID 43177904
(2-Methoxyethyl)(4-methylpentan-2-yl)amine
CID 43190116

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[2-(4-methylpentan-2-ylamino)ethoxy]ethyl]pentan-2-amine?
The IUPAC name of 4-methyl-N-[2-[2-(4-methylpentan-2-ylamino)ethoxy]ethyl]pentan-2-amine (CID 18338936) is 4-methyl-N-[2-[2-(4-methylpentan-2-ylamino)ethoxy]ethyl]pentan-2-amine.
What is the SMILES notation for 4-methyl-N-[2-[2-(4-methylpentan-2-ylamino)ethoxy]ethyl]pentan-2-amine?
The canonical SMILES for 4-methyl-N-[2-[2-(4-methylpentan-2-ylamino)ethoxy]ethyl]pentan-2-amine is CC(C)CC(C)NCCOCCNC(C)CC(C)C.
What is the InChIKey of 4-methyl-N-[2-[2-(4-methylpentan-2-ylamino)ethoxy]ethyl]pentan-2-amine?
The InChIKey is KGWRAKZBTSDWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O/c1-13(2)11-15(5)17-7-9-19-10-8-18-16(6)12-14(3)4/h13-18H,7-12H2,1-6H3.
What are the key properties of 4-methyl-N-[2-[2-(4-methylpentan-2-ylamino)ethoxy]ethyl]pentan-2-amine?
4-methyl-N-[2-[2-(4-methylpentan-2-ylamino)ethoxy]ethyl]pentan-2-amine has a molecular weight of 272.48 g/mol, XLogP of 3.05, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[2-(4-methylpentan-2-ylamino)ethoxy]ethyl]pentan-2-amine is sourced from PubChem (CID 18338936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).