N-butyl-4-ethyl-3-(1-methoxyethyl)-N,3-dimethylheptan-2-amine

C18H39NO — CID 129095177

IUPACN-butyl-4-ethyl-3-(1-methoxyethyl)-N,3-dimethylheptan-2-amine
SMILESCCCCN(C)C(C)C(C)(C(CC)CCC)C(C)OC
InChIInChI=1S/C18H39NO/c1-9-12-14-19(7)15(4)18(6,16(5)20-8)17(11-3)13-10-2/h15-17H,9-14H2,1-8H3
InChIKeyUVDARYOSHWKRDJ-UHFFFAOYSA-N
MW285.52 g/mol
LogP4.97
Rot. Bonds11

About N-butyl-4-ethyl-3-(1-methoxyethyl)-N,3-dimethylheptan-2-amine

N-butyl-4-ethyl-3-(1-methoxyethyl)-N,3-dimethylheptan-2-amine (PubChem CID 129095177) has the molecular formula C18H39NO and a molecular weight of 285.52 g/mol. Its IUPAC name is N-butyl-4-ethyl-3-(1-methoxyethyl)-N,3-dimethylheptan-2-amine.

Molecular Properties

Compound NameN-butyl-4-ethyl-3-(1-methoxyethyl)-N,3-dimethylheptan-2-amine
PubChem CID129095177
Molecular FormulaC18H39NO
Molecular Weight285.52 g/mol
Exact Mass285.30
IUPAC NameN-butyl-4-ethyl-3-(1-methoxyethyl)-N,3-dimethylheptan-2-amine
SMILESCCCCN(C)C(C)C(C)(C(CC)CCC)C(C)OC
InChIInChI=1S/C18H39NO/c1-9-12-14-19(7)15(4)18(6,16(5)20-8)17(11-3)13-10-2/h15-17H,9-14H2,1-8H3
InChIKeyUVDARYOSHWKRDJ-UHFFFAOYSA-N
XLogP4.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.52
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-ethyl-3-(1-methoxyethyl)-N,3-dimethylheptan-2-amine?
The IUPAC name of N-butyl-4-ethyl-3-(1-methoxyethyl)-N,3-dimethylheptan-2-amine (CID 129095177) is N-butyl-4-ethyl-3-(1-methoxyethyl)-N,3-dimethylheptan-2-amine.
What is the SMILES notation for N-butyl-4-ethyl-3-(1-methoxyethyl)-N,3-dimethylheptan-2-amine?
The canonical SMILES for N-butyl-4-ethyl-3-(1-methoxyethyl)-N,3-dimethylheptan-2-amine is CCCCN(C)C(C)C(C)(C(CC)CCC)C(C)OC.
What is the InChIKey of N-butyl-4-ethyl-3-(1-methoxyethyl)-N,3-dimethylheptan-2-amine?
The InChIKey is UVDARYOSHWKRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO/c1-9-12-14-19(7)15(4)18(6,16(5)20-8)17(11-3)13-10-2/h15-17H,9-14H2,1-8H3.
What are the key properties of N-butyl-4-ethyl-3-(1-methoxyethyl)-N,3-dimethylheptan-2-amine?
N-butyl-4-ethyl-3-(1-methoxyethyl)-N,3-dimethylheptan-2-amine has a molecular weight of 285.52 g/mol, XLogP of 4.97, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-ethyl-3-(1-methoxyethyl)-N,3-dimethylheptan-2-amine is sourced from PubChem (CID 129095177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).