4-[2,3-dimethyl-3-(propan-2-ylamino)butoxy]-4-methyl-N-propan-2-ylpentan-2-amine

C18H40N2O — CID 123569329

IUPAC4-[2,3-dimethyl-3-(propan-2-ylamino)butoxy]-4-methyl-N-propan-2-ylpentan-2-amine
SMILESCC(C)NC(C)CC(C)(C)OCC(C)C(C)(C)NC(C)C
InChIInChI=1S/C18H40N2O/c1-13(2)19-16(6)11-17(7,8)21-12-15(5)18(9,10)20-14(3)4/h13-16,19-20H,11-12H2,1-10H3
InChIKeyCLGWMGBNGSCSNA-UHFFFAOYSA-N
MW300.53 g/mol
LogP3.97
Rot. Bonds10

About 4-[2,3-dimethyl-3-(propan-2-ylamino)butoxy]-4-methyl-N-propan-2-ylpentan-2-amine

4-[2,3-dimethyl-3-(propan-2-ylamino)butoxy]-4-methyl-N-propan-2-ylpentan-2-amine (PubChem CID 123569329) has the molecular formula C18H40N2O and a molecular weight of 300.53 g/mol. Its IUPAC name is 4-[2,3-dimethyl-3-(propan-2-ylamino)butoxy]-4-methyl-N-propan-2-ylpentan-2-amine.

Molecular Properties

Compound Name4-[2,3-dimethyl-3-(propan-2-ylamino)butoxy]-4-methyl-N-propan-2-ylpentan-2-amine
PubChem CID123569329
Molecular FormulaC18H40N2O
Molecular Weight300.53 g/mol
Exact Mass300.31
IUPAC Name4-[2,3-dimethyl-3-(propan-2-ylamino)butoxy]-4-methyl-N-propan-2-ylpentan-2-amine
SMILESCC(C)NC(C)CC(C)(C)OCC(C)C(C)(C)NC(C)C
InChIInChI=1S/C18H40N2O/c1-13(2)19-16(6)11-17(7,8)21-12-15(5)18(9,10)20-14(3)4/h13-16,19-20H,11-12H2,1-10H3
InChIKeyCLGWMGBNGSCSNA-UHFFFAOYSA-N
XLogP3.97
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.53
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2,3-dimethyl-3-(propan-2-ylamino)butoxy]-4-methyl-N-propan-2-ylpentan-2-amine?
The IUPAC name of 4-[2,3-dimethyl-3-(propan-2-ylamino)butoxy]-4-methyl-N-propan-2-ylpentan-2-amine (CID 123569329) is 4-[2,3-dimethyl-3-(propan-2-ylamino)butoxy]-4-methyl-N-propan-2-ylpentan-2-amine.
What is the SMILES notation for 4-[2,3-dimethyl-3-(propan-2-ylamino)butoxy]-4-methyl-N-propan-2-ylpentan-2-amine?
The canonical SMILES for 4-[2,3-dimethyl-3-(propan-2-ylamino)butoxy]-4-methyl-N-propan-2-ylpentan-2-amine is CC(C)NC(C)CC(C)(C)OCC(C)C(C)(C)NC(C)C.
What is the InChIKey of 4-[2,3-dimethyl-3-(propan-2-ylamino)butoxy]-4-methyl-N-propan-2-ylpentan-2-amine?
The InChIKey is CLGWMGBNGSCSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2O/c1-13(2)19-16(6)11-17(7,8)21-12-15(5)18(9,10)20-14(3)4/h13-16,19-20H,11-12H2,1-10H3.
What are the key properties of 4-[2,3-dimethyl-3-(propan-2-ylamino)butoxy]-4-methyl-N-propan-2-ylpentan-2-amine?
4-[2,3-dimethyl-3-(propan-2-ylamino)butoxy]-4-methyl-N-propan-2-ylpentan-2-amine has a molecular weight of 300.53 g/mol, XLogP of 3.97, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,3-dimethyl-3-(propan-2-ylamino)butoxy]-4-methyl-N-propan-2-ylpentan-2-amine is sourced from PubChem (CID 123569329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).