2-amino-2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanamide

C13H26N4O — CID 63927660

IUPAC2-amino-2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanamide
SMILESCN1CCC(CN(C)CC(N)(C(N)=O)C2CC2)C1
InChIInChI=1S/C13H26N4O/c1-16-6-5-10(7-16)8-17(2)9-13(15,12(14)18)11-3-4-11/h10-11H,3-9,15H2,1-2H3,(H2,14,18)
InChIKeyLSIPXIOGNARWHX-UHFFFAOYSA-N
MW254.38 g/mol
LogP-0.54
Rot. Bonds6

About 2-amino-2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanamide

2-amino-2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanamide (PubChem CID 63927660) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanamide.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanamide
PubChem CID63927660
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name2-amino-2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanamide
SMILESCN1CCC(CN(C)CC(N)(C(N)=O)C2CC2)C1
InChIInChI=1S/C13H26N4O/c1-16-6-5-10(7-16)8-17(2)9-13(15,12(14)18)11-3-4-11/h10-11H,3-9,15H2,1-2H3,(H2,14,18)
InChIKeyLSIPXIOGNARWHX-UHFFFAOYSA-N
XLogP-0.54
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanamide
CID 55174419
2-ethyl-1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]butane-1,2-diamine
CID 79814121
methyl 2-amino-2-methyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate
CID 55171631
2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanehydrazide
CID 79626351
2-amino-2-cyclopropyl-3-[methyl(propyl)amino]propanamide
CID 63906412
methyl 2-cyclopropyl-2-(methylamino)-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate
CID 63927659
1-N,2-dimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,2-diamine
CID 63274555
2-amino-2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoic acid
CID 55171826
2-amino-2-cyclopropyl-3-[methyl(oxolan-2-ylmethyl)amino]propanamide
CID 63911354
1-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-2-one
CID 63273547
2-[methyl-[[(3S)-1-methylpyrrolidin-3-yl]methyl]amino]acetic acid
CID 96639224
2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanal
CID 63274650

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanamide?
The IUPAC name of 2-amino-2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanamide (CID 63927660) is 2-amino-2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanamide.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanamide?
The canonical SMILES for 2-amino-2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanamide is CN1CCC(CN(C)CC(N)(C(N)=O)C2CC2)C1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanamide?
The InChIKey is LSIPXIOGNARWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-16-6-5-10(7-16)8-17(2)9-13(15,12(14)18)11-3-4-11/h10-11H,3-9,15H2,1-2H3,(H2,14,18).
What are the key properties of 2-amino-2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanamide?
2-amino-2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanamide has a molecular weight of 254.38 g/mol, XLogP of -0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanamide is sourced from PubChem (CID 63927660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).