3-methyl-2-[2-(3-methylbutoxy)ethyl]-N-(2-methylpropyl)butan-1-amine

C16H35NO — CID 62530540

IUPAC3-methyl-2-[2-(3-methylbutoxy)ethyl]-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CCOCCC(CNCC(C)C)C(C)C
InChIInChI=1S/C16H35NO/c1-13(2)7-9-18-10-8-16(15(5)6)12-17-11-14(3)4/h13-17H,7-12H2,1-6H3
InChIKeyDYSKQJYQJKBTQZ-UHFFFAOYSA-N
MW257.46 g/mol
LogP3.96
Rot. Bonds11

About 3-methyl-2-[2-(3-methylbutoxy)ethyl]-N-(2-methylpropyl)butan-1-amine

3-methyl-2-[2-(3-methylbutoxy)ethyl]-N-(2-methylpropyl)butan-1-amine (PubChem CID 62530540) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is 3-methyl-2-[2-(3-methylbutoxy)ethyl]-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-[2-(3-methylbutoxy)ethyl]-N-(2-methylpropyl)butan-1-amine
PubChem CID62530540
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC Name3-methyl-2-[2-(3-methylbutoxy)ethyl]-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CCOCCC(CNCC(C)C)C(C)C
InChIInChI=1S/C16H35NO/c1-13(2)7-9-18-10-8-16(15(5)6)12-17-11-14(3)4/h13-17H,7-12H2,1-6H3
InChIKeyDYSKQJYQJKBTQZ-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-N-(2-methylpropyl)-2-propan-2-ylhexan-1-amine
CID 104649184
2-(2-butoxyethyl)-N-ethyl-3-methylbutan-1-amine
CID 62530129
3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258
2-methyl-N-(2-methylpropyl)-4-propoxybutan-1-amine
CID 79568932
2-[2-(4-bromophenoxy)ethyl]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 63522937
3-methyl-N-[2-(3-methylbutoxy)ethyl]-2-propan-2-ylbutan-1-amine
CID 102905338
2-[2-(3-methoxypropoxy)ethyl]-3-methyl-N-propylbutan-1-amine
CID 103183296
3-methyl-1-(3-methylbutoxy)butane;molecular iodine
CID 131712143
CID 175939227
CID 175939227
2-ethyl-2-[2-(3-methylbutoxy)ethyl]-N-(2-methylpropyl)hexan-1-amine
CID 63508789
4-(4-methylpentoxy)-N-(2-methylpropyl)butan-1-amine
CID 62456980

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-(3-methylbutoxy)ethyl]-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 3-methyl-2-[2-(3-methylbutoxy)ethyl]-N-(2-methylpropyl)butan-1-amine (CID 62530540) is 3-methyl-2-[2-(3-methylbutoxy)ethyl]-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 3-methyl-2-[2-(3-methylbutoxy)ethyl]-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 3-methyl-2-[2-(3-methylbutoxy)ethyl]-N-(2-methylpropyl)butan-1-amine is CC(C)CCOCCC(CNCC(C)C)C(C)C.
What is the InChIKey of 3-methyl-2-[2-(3-methylbutoxy)ethyl]-N-(2-methylpropyl)butan-1-amine?
The InChIKey is DYSKQJYQJKBTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-13(2)7-9-18-10-8-16(15(5)6)12-17-11-14(3)4/h13-17H,7-12H2,1-6H3.
What are the key properties of 3-methyl-2-[2-(3-methylbutoxy)ethyl]-N-(2-methylpropyl)butan-1-amine?
3-methyl-2-[2-(3-methylbutoxy)ethyl]-N-(2-methylpropyl)butan-1-amine has a molecular weight of 257.46 g/mol, XLogP of 3.96, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-(3-methylbutoxy)ethyl]-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 62530540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).