N-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethyl]-2,2-dimethylbutan-1-amine

C17H37NO2 — CID 167242553

IUPACN-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethyl]-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)CNCCOCCOCCCC(C)(C)C
InChIInChI=1S/C17H37NO2/c1-7-17(5,6)15-18-10-12-20-14-13-19-11-8-9-16(2,3)4/h18H,7-15H2,1-6H3
InChIKeyCOSLOUFKLPCWNF-UHFFFAOYSA-N
MW287.49 g/mol
LogP3.87
Rot. Bonds12

About N-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethyl]-2,2-dimethylbutan-1-amine

N-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethyl]-2,2-dimethylbutan-1-amine (PubChem CID 167242553) has the molecular formula C17H37NO2 and a molecular weight of 287.49 g/mol. Its IUPAC name is N-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethyl]-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethyl]-2,2-dimethylbutan-1-amine
PubChem CID167242553
Molecular FormulaC17H37NO2
Molecular Weight287.49 g/mol
Exact Mass287.28
IUPAC NameN-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethyl]-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)CNCCOCCOCCCC(C)(C)C
InChIInChI=1S/C17H37NO2/c1-7-17(5,6)15-18-10-12-20-14-13-19-11-8-9-16(2,3)4/h18H,7-15H2,1-6H3
InChIKeyCOSLOUFKLPCWNF-UHFFFAOYSA-N
XLogP3.87
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.49
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]-2,2-dimethylpropan-1-ol
CID 104562724
N-[2-[2-[4-[2-(4,4-dimethylpentoxy)ethoxy]butoxy]ethoxy]ethyl]-2-methylpropan-2-amine
CID 169300394
2,2-dimethyl-N-(2-propoxyethyl)heptan-1-amine
CID 106452237
N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-2,2-dimethylpropan-1-amine
CID 138727338
N-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylheptan-1-amine
CID 103179208
1-[5-(4,4-dimethylpentoxy)pentoxy]-4,4-dimethylpentane
CID 158699807
2,2-dimethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55106975
4-chloro-N-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylbutan-1-amine
CID 106140042
N-[2-(2-butoxyethoxy)ethyl]-2,2,2-trifluoroethanamine
CID 62598152
4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-3,3-dimethylbutan-1-ol
CID 106146692
3,3-dimethyl-N-(2-pent-4-enoxyethyl)butan-1-amine
CID 79113987
N-(4,4-dimethylpentyl)-4,4-dimethylhexan-1-amine
CID 138739641

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethyl]-2,2-dimethylbutan-1-amine?
The IUPAC name of N-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethyl]-2,2-dimethylbutan-1-amine (CID 167242553) is N-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethyl]-2,2-dimethylbutan-1-amine.
What is the SMILES notation for N-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethyl]-2,2-dimethylbutan-1-amine?
The canonical SMILES for N-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethyl]-2,2-dimethylbutan-1-amine is CCC(C)(C)CNCCOCCOCCCC(C)(C)C.
What is the InChIKey of N-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethyl]-2,2-dimethylbutan-1-amine?
The InChIKey is COSLOUFKLPCWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO2/c1-7-17(5,6)15-18-10-12-20-14-13-19-11-8-9-16(2,3)4/h18H,7-15H2,1-6H3.
What are the key properties of N-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethyl]-2,2-dimethylbutan-1-amine?
N-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethyl]-2,2-dimethylbutan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 3.87, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethyl]-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 167242553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).