N-[[1-(aminomethyl)cyclopropyl]methyl]-2-ethylhexanamide

C13H26N2O — CID 115456860

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)NCC1(CN)CC1
InChIInChI=1S/C13H26N2O/c1-3-5-6-11(4-2)12(16)15-10-13(9-14)7-8-13/h11H,3-10,14H2,1-2H3,(H,15,16)
InChIKeyXFYPNENREFLRTD-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.06
Rot. Bonds8

About N-[[1-(aminomethyl)cyclopropyl]methyl]-2-ethylhexanamide

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-ethylhexanamide (PubChem CID 115456860) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-ethylhexanamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-ethylhexanamide
PubChem CID115456860
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)NCC1(CN)CC1
InChIInChI=1S/C13H26N2O/c1-3-5-6-11(4-2)12(16)15-10-13(9-14)7-8-13/h11H,3-10,14H2,1-2H3,(H,15,16)
InChIKeyXFYPNENREFLRTD-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(aminomethyl)cyclohexyl]methyl]-2-ethylhexanamide
CID 103970224
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-ethylhexanamide
CID 103969559
2-ethyl-N-[2-(2-ethylhexanoylamino)ethyl]hexanamide
CID 4675082
2-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]hexanamide
CID 65123686
2-ethyl-N-pentylhexanamide
CID 5123867
1-[[1-(aminomethyl)cyclopropyl]methyl]-3-butylurea
CID 115456919
(2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]hexanamide
CID 113357272
(2S)-2-ethylhexanehydrazide
CID 40549650
2-ethyl-N-(3-ethyl-2-hydroxypentyl)hexanamide
CID 103770593
N-[(2S)-1-aminopropan-2-yl]-2-ethylhexanamide
CID 120504739
N-[[1-(aminomethyl)cyclopentyl]methyl]heptanamide
CID 114754126
[1-(aminomethyl)cyclopropyl]methylcarbamic acid
CID 89477777

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-ethylhexanamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-ethylhexanamide (CID 115456860) is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-ethylhexanamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-ethylhexanamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-ethylhexanamide is CCCCC(CC)C(=O)NCC1(CN)CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-ethylhexanamide?
The InChIKey is XFYPNENREFLRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-5-6-11(4-2)12(16)15-10-13(9-14)7-8-13/h11H,3-10,14H2,1-2H3,(H,15,16).
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-ethylhexanamide?
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-ethylhexanamide has a molecular weight of 226.36 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-ethylhexanamide is sourced from PubChem (CID 115456860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).