2-(aminomethyl)-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide

C14H28N2O — CID 79358528

IUPAC2-(aminomethyl)-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide
SMILESCC(C)C(CN)C(=O)NCC1C(C)(C)C1(C)C
InChIInChI=1S/C14H28N2O/c1-9(2)10(7-15)12(17)16-8-11-13(3,4)14(11,5)6/h9-11H,7-8,15H2,1-6H3,(H,16,17)
InChIKeyPPRYFYLBCMGJNW-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.02
Rot. Bonds5

About 2-(aminomethyl)-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide

2-(aminomethyl)-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide (PubChem CID 79358528) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-(aminomethyl)-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide
PubChem CID79358528
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-(aminomethyl)-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide
SMILESCC(C)C(CN)C(=O)NCC1C(C)(C)C1(C)C
InChIInChI=1S/C14H28N2O/c1-9(2)10(7-15)12(17)16-8-11-13(3,4)14(11,5)6/h9-11H,7-8,15H2,1-6H3,(H,16,17)
InChIKeyPPRYFYLBCMGJNW-UHFFFAOYSA-N
XLogP2.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-(3-aminopropyl)-3-methylbutanamide
CID 65229477
(2R)-2-amino-3,3-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide
CID 103930174
2-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
CID 79358922
2-carbamothioyl-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide
CID 79362463
3-chloro-2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propanamide
CID 79358044
(2S,3S)-2-amino-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
CID 79363377
4-[[2-(aminomethyl)-3-methylbutanoyl]amino]butanoic acid
CID 65227720
2-(aminomethyl)-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296178
2-(aminomethyl)-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 62822757
3-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide
CID 79362858
methyl 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]acetate
CID 65229564
3-[[2-(aminomethyl)-3-methylbutanoyl]amino]-2-methylpropanoic acid
CID 65228523

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide?
The IUPAC name of 2-(aminomethyl)-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide (CID 79358528) is 2-(aminomethyl)-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide is CC(C)C(CN)C(=O)NCC1C(C)(C)C1(C)C.
What is the InChIKey of 2-(aminomethyl)-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide?
The InChIKey is PPRYFYLBCMGJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-9(2)10(7-15)12(17)16-8-11-13(3,4)14(11,5)6/h9-11H,7-8,15H2,1-6H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide?
2-(aminomethyl)-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide has a molecular weight of 240.39 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide is sourced from PubChem (CID 79358528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).