(2R)-2-[[[(Z)-2-amino-3,3-dimethylbut-1-enyl]amino]methyl]-N,N-dimethylpyrrolidine-1-carboxamide

C14H28N4O — CID 155330060

IUPAC(2R)-2-[[[(Z)-2-amino-3,3-dimethylbut-1-enyl]amino]methyl]-N,N-dimethylpyrrolidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC[C@@H]1CN/C=C(\N)C(C)(C)C
InChIInChI=1S/C14H28N4O/c1-14(2,3)12(15)10-16-9-11-7-6-8-18(11)13(19)17(4)5/h10-11,16H,6-9,15H2,1-5H3/b12-10-/t11-/m1/s1
InChIKeyCUWAHMLMJZXRSA-JPQYHBGPSA-N
MW268.40 g/mol
LogP1.57
Rot. Bonds3

About (2R)-2-[[[(Z)-2-amino-3,3-dimethylbut-1-enyl]amino]methyl]-N,N-dimethylpyrrolidine-1-carboxamide

(2R)-2-[[[(Z)-2-amino-3,3-dimethylbut-1-enyl]amino]methyl]-N,N-dimethylpyrrolidine-1-carboxamide (PubChem CID 155330060) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is (2R)-2-[[[(Z)-2-amino-3,3-dimethylbut-1-enyl]amino]methyl]-N,N-dimethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-[[[(Z)-2-amino-3,3-dimethylbut-1-enyl]amino]methyl]-N,N-dimethylpyrrolidine-1-carboxamide
PubChem CID155330060
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name(2R)-2-[[[(Z)-2-amino-3,3-dimethylbut-1-enyl]amino]methyl]-N,N-dimethylpyrrolidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC[C@@H]1CN/C=C(\N)C(C)(C)C
InChIInChI=1S/C14H28N4O/c1-14(2,3)12(15)10-16-9-11-7-6-8-18(11)13(19)17(4)5/h10-11,16H,6-9,15H2,1-5H3/b12-10-/t11-/m1/s1
InChIKeyCUWAHMLMJZXRSA-JPQYHBGPSA-N
XLogP1.57
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[[(Z)-2-amino-3,3-dimethylbut-1-enyl]amino]methyl]-N,N-dimethylpyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-[[[(Z)-2-amino-3,3-dimethylbut-1-enyl]amino]methyl]-N,N-dimethylpyrrolidine-1-carboxamide (CID 155330060) is (2R)-2-[[[(Z)-2-amino-3,3-dimethylbut-1-enyl]amino]methyl]-N,N-dimethylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-[[[(Z)-2-amino-3,3-dimethylbut-1-enyl]amino]methyl]-N,N-dimethylpyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-[[[(Z)-2-amino-3,3-dimethylbut-1-enyl]amino]methyl]-N,N-dimethylpyrrolidine-1-carboxamide is CN(C)C(=O)N1CCC[C@@H]1CN/C=C(\N)C(C)(C)C.
What is the InChIKey of (2R)-2-[[[(Z)-2-amino-3,3-dimethylbut-1-enyl]amino]methyl]-N,N-dimethylpyrrolidine-1-carboxamide?
The InChIKey is CUWAHMLMJZXRSA-JPQYHBGPSA-N. The full InChI is InChI=1S/C14H28N4O/c1-14(2,3)12(15)10-16-9-11-7-6-8-18(11)13(19)17(4)5/h10-11,16H,6-9,15H2,1-5H3/b12-10-/t11-/m1/s1.
What are the key properties of (2R)-2-[[[(Z)-2-amino-3,3-dimethylbut-1-enyl]amino]methyl]-N,N-dimethylpyrrolidine-1-carboxamide?
(2R)-2-[[[(Z)-2-amino-3,3-dimethylbut-1-enyl]amino]methyl]-N,N-dimethylpyrrolidine-1-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[[(Z)-2-amino-3,3-dimethylbut-1-enyl]amino]methyl]-N,N-dimethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 155330060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).