[3-methyl-3-(3-methylbutoxy)cyclopropen-1-yl]methanamine

C10H19NO — CID 149308513

IUPAC[3-methyl-3-(3-methylbutoxy)cyclopropen-1-yl]methanamine
SMILESCC(C)CCOC1(C)C=C1CN
InChIInChI=1S/C10H19NO/c1-8(2)4-5-12-10(3)6-9(10)7-11/h6,8H,4-5,7,11H2,1-3H3
InChIKeyXYDPUACYUBRANL-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.71
Rot. Bonds5

About [3-methyl-3-(3-methylbutoxy)cyclopropen-1-yl]methanamine

[3-methyl-3-(3-methylbutoxy)cyclopropen-1-yl]methanamine (PubChem CID 149308513) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is [3-methyl-3-(3-methylbutoxy)cyclopropen-1-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-3-(3-methylbutoxy)cyclopropen-1-yl]methanamine
PubChem CID149308513
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name[3-methyl-3-(3-methylbutoxy)cyclopropen-1-yl]methanamine
SMILESCC(C)CCOC1(C)C=C1CN
InChIInChI=1S/C10H19NO/c1-8(2)4-5-12-10(3)6-9(10)7-11/h6,8H,4-5,7,11H2,1-3H3
InChIKeyXYDPUACYUBRANL-UHFFFAOYSA-N
XLogP1.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-ethoxy-3-methylhex-4-en-1-amine
CID 163902015
3-(Methoxymethyl)-4-methylpent-2-en-1-amine
CID 80410598
(Z)-2-ethyl-4-methoxy-4-methylpent-2-en-1-amine
CID 133625863
(E)-3-(methoxymethyl)-4-methylpent-2-en-1-amine
CID 133628199

Frequently Asked Questions

What is the IUPAC name of [3-methyl-3-(3-methylbutoxy)cyclopropen-1-yl]methanamine?
The IUPAC name of [3-methyl-3-(3-methylbutoxy)cyclopropen-1-yl]methanamine (CID 149308513) is [3-methyl-3-(3-methylbutoxy)cyclopropen-1-yl]methanamine.
What is the SMILES notation for [3-methyl-3-(3-methylbutoxy)cyclopropen-1-yl]methanamine?
The canonical SMILES for [3-methyl-3-(3-methylbutoxy)cyclopropen-1-yl]methanamine is CC(C)CCOC1(C)C=C1CN.
What is the InChIKey of [3-methyl-3-(3-methylbutoxy)cyclopropen-1-yl]methanamine?
The InChIKey is XYDPUACYUBRANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)4-5-12-10(3)6-9(10)7-11/h6,8H,4-5,7,11H2,1-3H3.
What are the key properties of [3-methyl-3-(3-methylbutoxy)cyclopropen-1-yl]methanamine?
[3-methyl-3-(3-methylbutoxy)cyclopropen-1-yl]methanamine has a molecular weight of 169.27 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-3-(3-methylbutoxy)cyclopropen-1-yl]methanamine is sourced from PubChem (CID 149308513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).