1-cyclopropyl-2-methyl-N-(2-propan-2-yloxyethyl)propan-1-amine

C12H25NO — CID 104584711

IUPAC1-cyclopropyl-2-methyl-N-(2-propan-2-yloxyethyl)propan-1-amine
SMILESCC(C)OCCNC(C(C)C)C1CC1
InChIInChI=1S/C12H25NO/c1-9(2)12(11-5-6-11)13-7-8-14-10(3)4/h9-13H,5-8H2,1-4H3
InChIKeyTWQGVFUPZDISKJ-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.44
Rot. Bonds7

About 1-cyclopropyl-2-methyl-N-(2-propan-2-yloxyethyl)propan-1-amine

1-cyclopropyl-2-methyl-N-(2-propan-2-yloxyethyl)propan-1-amine (PubChem CID 104584711) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-cyclopropyl-2-methyl-N-(2-propan-2-yloxyethyl)propan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-2-methyl-N-(2-propan-2-yloxyethyl)propan-1-amine
PubChem CID104584711
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-cyclopropyl-2-methyl-N-(2-propan-2-yloxyethyl)propan-1-amine
SMILESCC(C)OCCNC(C(C)C)C1CC1
InChIInChI=1S/C12H25NO/c1-9(2)12(11-5-6-11)13-7-8-14-10(3)4/h9-13H,5-8H2,1-4H3
InChIKeyTWQGVFUPZDISKJ-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-N-[2-(2-methoxyethoxy)ethyl]-2-methylpropan-1-amine
CID 115712459
N-(2-propan-2-yloxyethyl)propan-2-amine
CID 21034307
(1S)-1-cyclohexyl-N-(2-propan-2-yloxyethyl)ethanamine
CID 81384150
1-cyclopentyl-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 104584684
1-cyclopropyl-2-methyl-N-(3-methylsulfanylpropyl)propan-1-amine
CID 115721395
1-cyclohexyl-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 62407006
N-(1-cyclopropyl-2-methylpropyl)-5,5,5-trifluoropentan-1-amine
CID 115895750
1-(1-methylpiperidin-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104584745
1-iodo-3-methyl-N-(2-propan-2-yloxyethyl)butan-2-amine
CID 107859361
1-cyclopropyl-N-(3-imidazol-1-ylpropyl)-2-methylpropan-1-amine
CID 115704915
1-(4-butylcyclohexyl)-2-methyl-N-propylpropan-1-amine
CID 114978751
2-methyl-1-(oxan-4-yl)-N-propylpropan-1-amine
CID 63935267

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-methyl-N-(2-propan-2-yloxyethyl)propan-1-amine?
The IUPAC name of 1-cyclopropyl-2-methyl-N-(2-propan-2-yloxyethyl)propan-1-amine (CID 104584711) is 1-cyclopropyl-2-methyl-N-(2-propan-2-yloxyethyl)propan-1-amine.
What is the SMILES notation for 1-cyclopropyl-2-methyl-N-(2-propan-2-yloxyethyl)propan-1-amine?
The canonical SMILES for 1-cyclopropyl-2-methyl-N-(2-propan-2-yloxyethyl)propan-1-amine is CC(C)OCCNC(C(C)C)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-methyl-N-(2-propan-2-yloxyethyl)propan-1-amine?
The InChIKey is TWQGVFUPZDISKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(2)12(11-5-6-11)13-7-8-14-10(3)4/h9-13H,5-8H2,1-4H3.
What are the key properties of 1-cyclopropyl-2-methyl-N-(2-propan-2-yloxyethyl)propan-1-amine?
1-cyclopropyl-2-methyl-N-(2-propan-2-yloxyethyl)propan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methyl-N-(2-propan-2-yloxyethyl)propan-1-amine is sourced from PubChem (CID 104584711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).