1-methoxy-2,2-dimethyl-N-propan-2-ylcyclopropan-1-amine

C9H19NO — CID 13109456

IUPAC1-methoxy-2,2-dimethyl-N-propan-2-ylcyclopropan-1-amine
SMILESCOC1(NC(C)C)CC1(C)C
InChIInChI=1S/C9H19NO/c1-7(2)10-9(11-5)6-8(9,3)4/h7,10H,6H2,1-5H3
InChIKeyRERVLTWXIQJCIA-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.76
Rot. Bonds3

About 1-methoxy-2,2-dimethyl-N-propan-2-ylcyclopropan-1-amine

1-methoxy-2,2-dimethyl-N-propan-2-ylcyclopropan-1-amine (PubChem CID 13109456) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-methoxy-2,2-dimethyl-N-propan-2-ylcyclopropan-1-amine.

Molecular Properties

Compound Name1-methoxy-2,2-dimethyl-N-propan-2-ylcyclopropan-1-amine
PubChem CID13109456
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-methoxy-2,2-dimethyl-N-propan-2-ylcyclopropan-1-amine
SMILESCOC1(NC(C)C)CC1(C)C
InChIInChI=1S/C9H19NO/c1-7(2)10-9(11-5)6-8(9,3)4/h7,10H,6H2,1-5H3
InChIKeyRERVLTWXIQJCIA-UHFFFAOYSA-N
XLogP1.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-tert-Butyl-1-methoxy-2,2-dimethylcyclopropan-1-amine
CID 14069605
2,2-diethyl-1-methoxy-N-propan-2-ylcyclopropan-1-amine
CID 85630940
2-ethyl-1-methoxy-2-methyl-N-propan-2-ylcyclopropan-1-amine
CID 134907889
N-[[1-(methoxymethyl)cyclopropyl]methyl]ethanamine
CID 103984706
N-[[1-(ethoxymethyl)cyclopropyl]methyl]propan-2-amine
CID 103984709
N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-2-amine
CID 103984710
N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]propan-2-amine
CID 169289958
N-ethyl-1-methoxy-2,2-dimethylcyclopropan-1-amine
CID 13109462
1-isopropoxy-N-isopropyl-2,2-dimethylcyclopropanamine
CID 13109464
N-[(2R)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine
CID 29013814
N-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine
CID 29013816
N-(4-methoxy-4-methylpentan-2-yl)cyclopropanamine
CID 43146944

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,2-dimethyl-N-propan-2-ylcyclopropan-1-amine?
The IUPAC name of 1-methoxy-2,2-dimethyl-N-propan-2-ylcyclopropan-1-amine (CID 13109456) is 1-methoxy-2,2-dimethyl-N-propan-2-ylcyclopropan-1-amine.
What is the SMILES notation for 1-methoxy-2,2-dimethyl-N-propan-2-ylcyclopropan-1-amine?
The canonical SMILES for 1-methoxy-2,2-dimethyl-N-propan-2-ylcyclopropan-1-amine is COC1(NC(C)C)CC1(C)C.
What is the InChIKey of 1-methoxy-2,2-dimethyl-N-propan-2-ylcyclopropan-1-amine?
The InChIKey is RERVLTWXIQJCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(2)10-9(11-5)6-8(9,3)4/h7,10H,6H2,1-5H3.
What are the key properties of 1-methoxy-2,2-dimethyl-N-propan-2-ylcyclopropan-1-amine?
1-methoxy-2,2-dimethyl-N-propan-2-ylcyclopropan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,2-dimethyl-N-propan-2-ylcyclopropan-1-amine is sourced from PubChem (CID 13109456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).