3-[[1-(2-aminoethyl)cyclopropyl]methyl-methylamino]-N,2-dimethylpropanamide

C12H25N3O — CID 106914924

IUPAC3-[[1-(2-aminoethyl)cyclopropyl]methyl-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)CC1(CCN)CC1
InChIInChI=1S/C12H25N3O/c1-10(11(16)14-2)8-15(3)9-12(4-5-12)6-7-13/h10H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyAETCBWMEWNCTLH-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.43
Rot. Bonds7

About 3-[[1-(2-aminoethyl)cyclopropyl]methyl-methylamino]-N,2-dimethylpropanamide

3-[[1-(2-aminoethyl)cyclopropyl]methyl-methylamino]-N,2-dimethylpropanamide (PubChem CID 106914924) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-[[1-(2-aminoethyl)cyclopropyl]methyl-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[1-(2-aminoethyl)cyclopropyl]methyl-methylamino]-N,2-dimethylpropanamide
PubChem CID106914924
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-[[1-(2-aminoethyl)cyclopropyl]methyl-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)CC1(CCN)CC1
InChIInChI=1S/C12H25N3O/c1-10(11(16)14-2)8-15(3)9-12(4-5-12)6-7-13/h10H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyAETCBWMEWNCTLH-UHFFFAOYSA-N
XLogP0.43
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4,4-Dimethylpentylamino)-3-oxopropyl]azanium
CID 20608663
3-amino-N-(4,4-dimethylpentyl)propanamide
CID 20608664
[3-(4,4-Dimethylpentylamino)-3-oxopropyl]azanide
CID 20773510
N-(3-aminopropyl)-1-(2-methylpropyl)cyclopropane-1-carboxamide
CID 57700502
3-(dimethylamino)-N-(4,4-dimethylpentyl)propanamide
CID 60139831
3-(cyclopropylmethylamino)-N-methyl-propanamide
CID 61863199
1-(4-Tert-butylpiperidin-1-yl)-3-(methylamino)propan-1-one
CID 62084355
N-methyl-3-(methylamino)-N-[(2-methylcyclopropyl)methyl]propanamide
CID 63866438
N-(2-cyclopropylethyl)-2,2-dimethylpropanamide
CID 65552636
3-(2-cyclopropylethylamino)-N-methylpropanamide
CID 65560523
[4-(Aminomethyl)piperidin-1-yl]-(1-ethylcyclopropyl)methanone
CID 68248875
3-[3-(2,2-dimethylpropyl)pyrrolidin-1-yl]-N-ethylpropanamide
CID 71109767

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-aminoethyl)cyclopropyl]methyl-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[[1-(2-aminoethyl)cyclopropyl]methyl-methylamino]-N,2-dimethylpropanamide (CID 106914924) is 3-[[1-(2-aminoethyl)cyclopropyl]methyl-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[[1-(2-aminoethyl)cyclopropyl]methyl-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[[1-(2-aminoethyl)cyclopropyl]methyl-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)CC1(CCN)CC1.
What is the InChIKey of 3-[[1-(2-aminoethyl)cyclopropyl]methyl-methylamino]-N,2-dimethylpropanamide?
The InChIKey is AETCBWMEWNCTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-10(11(16)14-2)8-15(3)9-12(4-5-12)6-7-13/h10H,4-9,13H2,1-3H3,(H,14,16).
What are the key properties of 3-[[1-(2-aminoethyl)cyclopropyl]methyl-methylamino]-N,2-dimethylpropanamide?
3-[[1-(2-aminoethyl)cyclopropyl]methyl-methylamino]-N,2-dimethylpropanamide has a molecular weight of 227.35 g/mol, XLogP of 0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-aminoethyl)cyclopropyl]methyl-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 106914924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).