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

C12H24N2O — CID 79362858

IUPAC3-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide
SMILESCC(N)CC(=O)NCC1C(C)(C)C1(C)C
InChIInChI=1S/C12H24N2O/c1-8(13)6-10(15)14-7-9-11(2,3)12(9,4)5/h8-9H,6-7,13H2,1-5H3,(H,14,15)
InChIKeyITCSPHABEBWMLU-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.52
Rot. Bonds4

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

3-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide (PubChem CID 79362858) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide
PubChem CID79362858
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide
SMILESCC(N)CC(=O)NCC1C(C)(C)C1(C)C
InChIInChI=1S/C12H24N2O/c1-8(13)6-10(15)14-7-9-11(2,3)12(9,4)5/h8-9H,6-7,13H2,1-5H3,(H,14,15)
InChIKeyITCSPHABEBWMLU-UHFFFAOYSA-N
XLogP1.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
CID 79356434
(2R)-2-amino-3,3-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide
CID 103930174
3-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]butanamide
CID 107389487
(2S,3S)-2-amino-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
CID 79363377
2-methylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]acetamide
CID 136539129
2-(aminomethyl)-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide
CID 79358528
3-amino-N-[(4-methoxycyclohexyl)methyl]butanamide;hydrochloride
CID 119790794
3-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide
CID 102905862
3-amino-N-(3-cyclopropylpropyl)butanamide
CID 115740565
3-chloro-2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propanamide
CID 79358044
5-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
CID 107910275
2-carbamothioyl-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide
CID 79362463

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide?
The IUPAC name of 3-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide (CID 79362858) is 3-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide.
What is the SMILES notation for 3-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide?
The canonical SMILES for 3-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide is CC(N)CC(=O)NCC1C(C)(C)C1(C)C.
What is the InChIKey of 3-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide?
The InChIKey is ITCSPHABEBWMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-8(13)6-10(15)14-7-9-11(2,3)12(9,4)5/h8-9H,6-7,13H2,1-5H3,(H,14,15).
What are the key properties of 3-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide?
3-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide has a molecular weight of 212.34 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide is sourced from PubChem (CID 79362858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).