N-tert-butylcyclopropanamine;2,2,7,7-tetramethyloctan-4-one;N,N,4,4-tetramethylpentan-1-amine

C28H60N2O — CID 167538898

IUPACN-tert-butylcyclopropanamine;2,2,7,7-tetramethyloctan-4-one;N,N,4,4-tetramethylpentan-1-amine
SMILESCC(C)(C)CCC(=O)CC(C)(C)C.CC(C)(C)NC1CC1.CN(C)CCCC(C)(C)C
InChIInChI=1S/C12H24O.C9H21N.C7H15N/c1-11(2,3)8-7-10(13)9-12(4,5)6;1-9(2,3)7-6-8-10(4)5;1-7(2,3)8-6-4-5-6/h7-9H2,1-6H3;6-8H2,1-5H3;6,8H,4-5H2,1-3H3
InChIKeyAXGUKGSGRJNBAG-UHFFFAOYSA-N
MW440.80 g/mol
LogP7.73
Rot. Bonds7

About N-tert-butylcyclopropanamine;2,2,7,7-tetramethyloctan-4-one;N,N,4,4-tetramethylpentan-1-amine

N-tert-butylcyclopropanamine;2,2,7,7-tetramethyloctan-4-one;N,N,4,4-tetramethylpentan-1-amine (PubChem CID 167538898) has the molecular formula C28H60N2O and a molecular weight of 440.80 g/mol. Its IUPAC name is N-tert-butylcyclopropanamine;2,2,7,7-tetramethyloctan-4-one;N,N,4,4-tetramethylpentan-1-amine.

Molecular Properties

Compound NameN-tert-butylcyclopropanamine;2,2,7,7-tetramethyloctan-4-one;N,N,4,4-tetramethylpentan-1-amine
PubChem CID167538898
Molecular FormulaC28H60N2O
Molecular Weight440.80 g/mol
Exact Mass440.47
IUPAC NameN-tert-butylcyclopropanamine;2,2,7,7-tetramethyloctan-4-one;N,N,4,4-tetramethylpentan-1-amine
SMILESCC(C)(C)CCC(=O)CC(C)(C)C.CC(C)(C)NC1CC1.CN(C)CCCC(C)(C)C
InChIInChI=1S/C12H24O.C9H21N.C7H15N/c1-11(2,3)8-7-10(13)9-12(4,5)6;1-9(2,3)7-6-8-10(4)5;1-7(2,3)8-6-4-5-6/h7-9H2,1-6H3;6-8H2,1-5H3;6,8H,4-5H2,1-3H3
InChIKeyAXGUKGSGRJNBAG-UHFFFAOYSA-N
XLogP7.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.80
LogP ≤ 57.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-tert-butylcyclopropanamine;2,2,7,7-tetramethyloctan-4-one;N,N,4,4-tetramethylpentan-1-amine with MolForge

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Related Compounds

methane;2,2,7,7-tetramethyloctan-4-one
CID 160856578
1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-6,6-dimethylheptan-1-one
CID 146549601
2-(cyclopropylamino)-5-[3-(dimethylamino)propyl-methylamino]-2-methylpentanenitrile
CID 63698921
1-N,4-N-ditert-butylcyclohexane-1,4-diamine
CID 59732223
N-cyclopropyl-4-(dimethylamino)butanamide
CID 66617173
methyl 2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]-2-methylpropanoate
CID 55226592
1-[2-(dimethylamino)ethoxy]-5,5-dimethylhexan-3-one
CID 58409031
N-tert-butylcyclopropanamine;hydrochloride
CID 55284152
1-[2-(dimethylamino)ethoxy]-5,5-dimethylhexan-2-one
CID 58408807
2,2,14,14-tetramethylpentadecane-4,12-dione
CID 158540576
N-cyclopropyl-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide
CID 108957385
2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]-2-methylpropanenitrile
CID 63700305

Frequently Asked Questions

What is the IUPAC name of N-tert-butylcyclopropanamine;2,2,7,7-tetramethyloctan-4-one;N,N,4,4-tetramethylpentan-1-amine?
The IUPAC name of N-tert-butylcyclopropanamine;2,2,7,7-tetramethyloctan-4-one;N,N,4,4-tetramethylpentan-1-amine (CID 167538898) is N-tert-butylcyclopropanamine;2,2,7,7-tetramethyloctan-4-one;N,N,4,4-tetramethylpentan-1-amine.
What is the SMILES notation for N-tert-butylcyclopropanamine;2,2,7,7-tetramethyloctan-4-one;N,N,4,4-tetramethylpentan-1-amine?
The canonical SMILES for N-tert-butylcyclopropanamine;2,2,7,7-tetramethyloctan-4-one;N,N,4,4-tetramethylpentan-1-amine is CC(C)(C)CCC(=O)CC(C)(C)C.CC(C)(C)NC1CC1.CN(C)CCCC(C)(C)C.
What is the InChIKey of N-tert-butylcyclopropanamine;2,2,7,7-tetramethyloctan-4-one;N,N,4,4-tetramethylpentan-1-amine?
The InChIKey is AXGUKGSGRJNBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O.C9H21N.C7H15N/c1-11(2,3)8-7-10(13)9-12(4,5)6;1-9(2,3)7-6-8-10(4)5;1-7(2,3)8-6-4-5-6/h7-9H2,1-6H3;6-8H2,1-5H3;6,8H,4-5H2,1-3H3.
What are the key properties of N-tert-butylcyclopropanamine;2,2,7,7-tetramethyloctan-4-one;N,N,4,4-tetramethylpentan-1-amine?
N-tert-butylcyclopropanamine;2,2,7,7-tetramethyloctan-4-one;N,N,4,4-tetramethylpentan-1-amine has a molecular weight of 440.80 g/mol, XLogP of 7.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylcyclopropanamine;2,2,7,7-tetramethyloctan-4-one;N,N,4,4-tetramethylpentan-1-amine is sourced from PubChem (CID 167538898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).