2-(cyclopropylmethoxymethyl)-2-methyl-N-(2-methylpropyl)but-3-en-1-amine

C14H27NO — CID 106931007

IUPAC2-(cyclopropylmethoxymethyl)-2-methyl-N-(2-methylpropyl)but-3-en-1-amine
SMILESC=CC(C)(CNCC(C)C)COCC1CC1
InChIInChI=1S/C14H27NO/c1-5-14(4,10-15-8-12(2)3)11-16-9-13-6-7-13/h5,12-13,15H,1,6-11H2,2-4H3
InChIKeyDMATZKSLTPKJPR-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.85
Rot. Bonds9

About 2-(cyclopropylmethoxymethyl)-2-methyl-N-(2-methylpropyl)but-3-en-1-amine

2-(cyclopropylmethoxymethyl)-2-methyl-N-(2-methylpropyl)but-3-en-1-amine (PubChem CID 106931007) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-(cyclopropylmethoxymethyl)-2-methyl-N-(2-methylpropyl)but-3-en-1-amine.

Molecular Properties

Compound Name2-(cyclopropylmethoxymethyl)-2-methyl-N-(2-methylpropyl)but-3-en-1-amine
PubChem CID106931007
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-(cyclopropylmethoxymethyl)-2-methyl-N-(2-methylpropyl)but-3-en-1-amine
SMILESC=CC(C)(CNCC(C)C)COCC1CC1
InChIInChI=1S/C14H27NO/c1-5-14(4,10-15-8-12(2)3)11-16-9-13-6-7-13/h5,12-13,15H,1,6-11H2,2-4H3
InChIKeyDMATZKSLTPKJPR-UHFFFAOYSA-N
XLogP2.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.85
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

3-(cyclopropylmethoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 79628569
N-[2-(cyclopropylmethoxymethyl)-2-methylbut-3-enyl]cyclopropanamine
CID 106931005
2-methyl-N-(2-methylpropyl)-2-(2-propoxyethyl)but-3-en-1-amine
CID 106457337
3-(2-cyclopropylethoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 106205944
2-ethenyl-2-methyl-N-(2-methylpropyl)-5-(oxolan-2-yl)pentan-1-amine
CID 102641532
[2-(chloromethyl)-2,3-dimethylbutoxy]methylcyclopropane
CID 106931403
N-[2-(ethoxymethyl)-2-methylbut-3-enyl]cyclopropanamine
CID 102641172
[2,2-bis(chloromethyl)-3-methylbutoxy]methylcyclopropane
CID 106931438
3-(cyclopentylmethoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 79627805
3-cyclopentyloxy-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 79621156
3-cycloheptyloxy-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 79626713
2-(cyclopropylmethoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 62457054

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxymethyl)-2-methyl-N-(2-methylpropyl)but-3-en-1-amine?
The IUPAC name of 2-(cyclopropylmethoxymethyl)-2-methyl-N-(2-methylpropyl)but-3-en-1-amine (CID 106931007) is 2-(cyclopropylmethoxymethyl)-2-methyl-N-(2-methylpropyl)but-3-en-1-amine.
What is the SMILES notation for 2-(cyclopropylmethoxymethyl)-2-methyl-N-(2-methylpropyl)but-3-en-1-amine?
The canonical SMILES for 2-(cyclopropylmethoxymethyl)-2-methyl-N-(2-methylpropyl)but-3-en-1-amine is C=CC(C)(CNCC(C)C)COCC1CC1.
What is the InChIKey of 2-(cyclopropylmethoxymethyl)-2-methyl-N-(2-methylpropyl)but-3-en-1-amine?
The InChIKey is DMATZKSLTPKJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-5-14(4,10-15-8-12(2)3)11-16-9-13-6-7-13/h5,12-13,15H,1,6-11H2,2-4H3.
What are the key properties of 2-(cyclopropylmethoxymethyl)-2-methyl-N-(2-methylpropyl)but-3-en-1-amine?
2-(cyclopropylmethoxymethyl)-2-methyl-N-(2-methylpropyl)but-3-en-1-amine has a molecular weight of 225.38 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxymethyl)-2-methyl-N-(2-methylpropyl)but-3-en-1-amine is sourced from PubChem (CID 106931007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).