2,2-dimethyl-N-propan-2-yl-N-(1-propoxyethyl)butan-1-amine

C14H31NO — CID 123376205

IUPAC2,2-dimethyl-N-propan-2-yl-N-(1-propoxyethyl)butan-1-amine
SMILESCCCOC(C)N(CC(C)(C)CC)C(C)C
InChIInChI=1S/C14H31NO/c1-8-10-16-13(5)15(12(3)4)11-14(6,7)9-2/h12-13H,8-11H2,1-7H3
InChIKeyDVDWHOPAWWTOIK-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.91
Rot. Bonds8

About 2,2-dimethyl-N-propan-2-yl-N-(1-propoxyethyl)butan-1-amine

2,2-dimethyl-N-propan-2-yl-N-(1-propoxyethyl)butan-1-amine (PubChem CID 123376205) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 2,2-dimethyl-N-propan-2-yl-N-(1-propoxyethyl)butan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-propan-2-yl-N-(1-propoxyethyl)butan-1-amine
PubChem CID123376205
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name2,2-dimethyl-N-propan-2-yl-N-(1-propoxyethyl)butan-1-amine
SMILESCCCOC(C)N(CC(C)(C)CC)C(C)C
InChIInChI=1S/C14H31NO/c1-8-10-16-13(5)15(12(3)4)11-14(6,7)9-2/h12-13H,8-11H2,1-7H3
InChIKeyDVDWHOPAWWTOIK-UHFFFAOYSA-N
XLogP3.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-propan-2-yl-N-(1-propoxyethyl)butan-1-amine?
The IUPAC name of 2,2-dimethyl-N-propan-2-yl-N-(1-propoxyethyl)butan-1-amine (CID 123376205) is 2,2-dimethyl-N-propan-2-yl-N-(1-propoxyethyl)butan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-propan-2-yl-N-(1-propoxyethyl)butan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-propan-2-yl-N-(1-propoxyethyl)butan-1-amine is CCCOC(C)N(CC(C)(C)CC)C(C)C.
What is the InChIKey of 2,2-dimethyl-N-propan-2-yl-N-(1-propoxyethyl)butan-1-amine?
The InChIKey is DVDWHOPAWWTOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-8-10-16-13(5)15(12(3)4)11-14(6,7)9-2/h12-13H,8-11H2,1-7H3.
What are the key properties of 2,2-dimethyl-N-propan-2-yl-N-(1-propoxyethyl)butan-1-amine?
2,2-dimethyl-N-propan-2-yl-N-(1-propoxyethyl)butan-1-amine has a molecular weight of 229.41 g/mol, XLogP of 3.91, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-propan-2-yl-N-(1-propoxyethyl)butan-1-amine is sourced from PubChem (CID 123376205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).