1-[bis[2-(propan-2-ylamino)ethyl]amino]-3-methylbutan-2-one

C15H33N3O — CID 23592886

IUPAC1-[bis[2-(propan-2-ylamino)ethyl]amino]-3-methylbutan-2-one
SMILESCC(C)NCCN(CCNC(C)C)CC(=O)C(C)C
InChIInChI=1S/C15H33N3O/c1-12(2)15(19)11-18(9-7-16-13(3)4)10-8-17-14(5)6/h12-14,16-17H,7-11H2,1-6H3
InChIKeyZMBVQHHPIWZBSB-UHFFFAOYSA-N
MW271.45 g/mol
LogP1.51
Rot. Bonds11

About 1-[bis[2-(propan-2-ylamino)ethyl]amino]-3-methylbutan-2-one

1-[bis[2-(propan-2-ylamino)ethyl]amino]-3-methylbutan-2-one (PubChem CID 23592886) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is 1-[bis[2-(propan-2-ylamino)ethyl]amino]-3-methylbutan-2-one.

Molecular Properties

Compound Name1-[bis[2-(propan-2-ylamino)ethyl]amino]-3-methylbutan-2-one
PubChem CID23592886
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC Name1-[bis[2-(propan-2-ylamino)ethyl]amino]-3-methylbutan-2-one
SMILESCC(C)NCCN(CCNC(C)C)CC(=O)C(C)C
InChIInChI=1S/C15H33N3O/c1-12(2)15(19)11-18(9-7-16-13(3)4)10-8-17-14(5)6/h12-14,16-17H,7-11H2,1-6H3
InChIKeyZMBVQHHPIWZBSB-UHFFFAOYSA-N
XLogP1.51
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[bis[2-(propan-2-ylamino)ethyl]amino]-3-methylbutan-2-one?
The IUPAC name of 1-[bis[2-(propan-2-ylamino)ethyl]amino]-3-methylbutan-2-one (CID 23592886) is 1-[bis[2-(propan-2-ylamino)ethyl]amino]-3-methylbutan-2-one.
What is the SMILES notation for 1-[bis[2-(propan-2-ylamino)ethyl]amino]-3-methylbutan-2-one?
The canonical SMILES for 1-[bis[2-(propan-2-ylamino)ethyl]amino]-3-methylbutan-2-one is CC(C)NCCN(CCNC(C)C)CC(=O)C(C)C.
What is the InChIKey of 1-[bis[2-(propan-2-ylamino)ethyl]amino]-3-methylbutan-2-one?
The InChIKey is ZMBVQHHPIWZBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O/c1-12(2)15(19)11-18(9-7-16-13(3)4)10-8-17-14(5)6/h12-14,16-17H,7-11H2,1-6H3.
What are the key properties of 1-[bis[2-(propan-2-ylamino)ethyl]amino]-3-methylbutan-2-one?
1-[bis[2-(propan-2-ylamino)ethyl]amino]-3-methylbutan-2-one has a molecular weight of 271.45 g/mol, XLogP of 1.51, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis[2-(propan-2-ylamino)ethyl]amino]-3-methylbutan-2-one is sourced from PubChem (CID 23592886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).