3,3-dimethyl-4-(methylamino)-N-[(E)-4-methyl-3,5-bis(methylamino)pent-2-en-2-yl]butanamide

C15H32N4O — CID 144906418

IUPAC3,3-dimethyl-4-(methylamino)-N-[(E)-4-methyl-3,5-bis(methylamino)pent-2-en-2-yl]butanamide
SMILESCNCC(C)/C(NC)=C(/C)NC(=O)CC(C)(C)CNC
InChIInChI=1S/C15H32N4O/c1-11(9-16-5)14(18-7)12(2)19-13(20)8-15(3,4)10-17-6/h11,16-18H,8-10H2,1-7H3,(H,19,20)/b14-12+
InChIKeyJCRLNCNNRMGUAQ-WYMLVPIESA-N
MW284.45 g/mol
LogP1.04
Rot. Bonds9

About 3,3-dimethyl-4-(methylamino)-N-[(E)-4-methyl-3,5-bis(methylamino)pent-2-en-2-yl]butanamide

3,3-dimethyl-4-(methylamino)-N-[(E)-4-methyl-3,5-bis(methylamino)pent-2-en-2-yl]butanamide (PubChem CID 144906418) has the molecular formula C15H32N4O and a molecular weight of 284.45 g/mol. Its IUPAC name is 3,3-dimethyl-4-(methylamino)-N-[(E)-4-methyl-3,5-bis(methylamino)pent-2-en-2-yl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-4-(methylamino)-N-[(E)-4-methyl-3,5-bis(methylamino)pent-2-en-2-yl]butanamide
PubChem CID144906418
Molecular FormulaC15H32N4O
Molecular Weight284.45 g/mol
Exact Mass284.26
IUPAC Name3,3-dimethyl-4-(methylamino)-N-[(E)-4-methyl-3,5-bis(methylamino)pent-2-en-2-yl]butanamide
SMILESCNCC(C)/C(NC)=C(/C)NC(=O)CC(C)(C)CNC
InChIInChI=1S/C15H32N4O/c1-11(9-16-5)14(18-7)12(2)19-13(20)8-15(3,4)10-17-6/h11,16-18H,8-10H2,1-7H3,(H,19,20)/b14-12+
InChIKeyJCRLNCNNRMGUAQ-WYMLVPIESA-N
XLogP1.04
TPSA65.19 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 51.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(methylamino)-N-[(E)-4-methyl-3,5-bis(methylamino)pent-2-en-2-yl]butanamide?
The IUPAC name of 3,3-dimethyl-4-(methylamino)-N-[(E)-4-methyl-3,5-bis(methylamino)pent-2-en-2-yl]butanamide (CID 144906418) is 3,3-dimethyl-4-(methylamino)-N-[(E)-4-methyl-3,5-bis(methylamino)pent-2-en-2-yl]butanamide.
What is the SMILES notation for 3,3-dimethyl-4-(methylamino)-N-[(E)-4-methyl-3,5-bis(methylamino)pent-2-en-2-yl]butanamide?
The canonical SMILES for 3,3-dimethyl-4-(methylamino)-N-[(E)-4-methyl-3,5-bis(methylamino)pent-2-en-2-yl]butanamide is CNCC(C)/C(NC)=C(/C)NC(=O)CC(C)(C)CNC.
What is the InChIKey of 3,3-dimethyl-4-(methylamino)-N-[(E)-4-methyl-3,5-bis(methylamino)pent-2-en-2-yl]butanamide?
The InChIKey is JCRLNCNNRMGUAQ-WYMLVPIESA-N. The full InChI is InChI=1S/C15H32N4O/c1-11(9-16-5)14(18-7)12(2)19-13(20)8-15(3,4)10-17-6/h11,16-18H,8-10H2,1-7H3,(H,19,20)/b14-12+.
What are the key properties of 3,3-dimethyl-4-(methylamino)-N-[(E)-4-methyl-3,5-bis(methylamino)pent-2-en-2-yl]butanamide?
3,3-dimethyl-4-(methylamino)-N-[(E)-4-methyl-3,5-bis(methylamino)pent-2-en-2-yl]butanamide has a molecular weight of 284.45 g/mol, XLogP of 1.04, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(methylamino)-N-[(E)-4-methyl-3,5-bis(methylamino)pent-2-en-2-yl]butanamide is sourced from PubChem (CID 144906418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).