methyl 2-(propan-2-ylamino)-4-[propan-2-yl(propyl)amino]butanoate

C14H30N2O2 — CID 63028441

IUPACmethyl 2-(propan-2-ylamino)-4-[propan-2-yl(propyl)amino]butanoate
SMILESCCCN(CCC(NC(C)C)C(=O)OC)C(C)C
InChIInChI=1S/C14H30N2O2/c1-7-9-16(12(4)5)10-8-13(14(17)18-6)15-11(2)3/h11-13,15H,7-10H2,1-6H3
InChIKeyXSCAPMGJFJLMGU-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.04
Rot. Bonds9

About methyl 2-(propan-2-ylamino)-4-[propan-2-yl(propyl)amino]butanoate

methyl 2-(propan-2-ylamino)-4-[propan-2-yl(propyl)amino]butanoate (PubChem CID 63028441) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is methyl 2-(propan-2-ylamino)-4-[propan-2-yl(propyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 2-(propan-2-ylamino)-4-[propan-2-yl(propyl)amino]butanoate
PubChem CID63028441
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Namemethyl 2-(propan-2-ylamino)-4-[propan-2-yl(propyl)amino]butanoate
SMILESCCCN(CCC(NC(C)C)C(=O)OC)C(C)C
InChIInChI=1S/C14H30N2O2/c1-7-9-16(12(4)5)10-8-13(14(17)18-6)15-11(2)3/h11-13,15H,7-10H2,1-6H3
InChIKeyXSCAPMGJFJLMGU-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(propan-2-ylamino)-4-[propan-2-yl(propyl)amino]butanoate?
The IUPAC name of methyl 2-(propan-2-ylamino)-4-[propan-2-yl(propyl)amino]butanoate (CID 63028441) is methyl 2-(propan-2-ylamino)-4-[propan-2-yl(propyl)amino]butanoate.
What is the SMILES notation for methyl 2-(propan-2-ylamino)-4-[propan-2-yl(propyl)amino]butanoate?
The canonical SMILES for methyl 2-(propan-2-ylamino)-4-[propan-2-yl(propyl)amino]butanoate is CCCN(CCC(NC(C)C)C(=O)OC)C(C)C.
What is the InChIKey of methyl 2-(propan-2-ylamino)-4-[propan-2-yl(propyl)amino]butanoate?
The InChIKey is XSCAPMGJFJLMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-7-9-16(12(4)5)10-8-13(14(17)18-6)15-11(2)3/h11-13,15H,7-10H2,1-6H3.
What are the key properties of methyl 2-(propan-2-ylamino)-4-[propan-2-yl(propyl)amino]butanoate?
methyl 2-(propan-2-ylamino)-4-[propan-2-yl(propyl)amino]butanoate has a molecular weight of 258.41 g/mol, XLogP of 2.04, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(propan-2-ylamino)-4-[propan-2-yl(propyl)amino]butanoate is sourced from PubChem (CID 63028441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).