2-(cyclopropylmethoxymethyl)-N,4-dimethylpentan-1-amine

C12H25NO — CID 106930588

IUPAC2-(cyclopropylmethoxymethyl)-N,4-dimethylpentan-1-amine
SMILESCNCC(COCC1CC1)CC(C)C
InChIInChI=1S/C12H25NO/c1-10(2)6-12(7-13-3)9-14-8-11-4-5-11/h10-13H,4-9H2,1-3H3
InChIKeyKQGUOWMVZNEGAS-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.29
Rot. Bonds8

About 2-(cyclopropylmethoxymethyl)-N,4-dimethylpentan-1-amine

2-(cyclopropylmethoxymethyl)-N,4-dimethylpentan-1-amine (PubChem CID 106930588) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-(cyclopropylmethoxymethyl)-N,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name2-(cyclopropylmethoxymethyl)-N,4-dimethylpentan-1-amine
PubChem CID106930588
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-(cyclopropylmethoxymethyl)-N,4-dimethylpentan-1-amine
SMILESCNCC(COCC1CC1)CC(C)C
InChIInChI=1S/C12H25NO/c1-10(2)6-12(7-13-3)9-14-8-11-4-5-11/h10-13H,4-9H2,1-3H3
InChIKeyKQGUOWMVZNEGAS-UHFFFAOYSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethoxymethyl)-N-ethyl-4-methylpentan-1-amine
CID 106930589
N,4-dimethyl-2-(2-methylpropyl)pentan-1-amine
CID 62530298
N,4-dimethyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-amine
CID 106456556
N,4-dimethyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine
CID 62529508
2-(2-ethoxyethyl)-N,4-dimethylpentan-1-amine
CID 62528504
(2R)-1-(cyclopropylmethoxy)-3-[[(2R)-5-methylhexan-2-yl]amino]propan-2-ol
CID 95357731
3-methylbutoxymethylcyclopropane
CID 58970607
1-cyclohexyl-2-(cyclopropylmethoxy)-N-methylethanamine
CID 104748827
N-[3-(cyclopropylmethoxy)-2-(4-fluorophenyl)propyl]-2-methylpropan-1-amine
CID 106930893
2-(cyclopropylmethoxymethyl)-3-methyl-N-propylbutan-1-amine
CID 106930604
2-(cyclopropylmethoxymethyl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine
CID 106930625
2-(ethoxymethyl)-N-ethyl-4-methylpentan-1-amine
CID 103984222

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxymethyl)-N,4-dimethylpentan-1-amine?
The IUPAC name of 2-(cyclopropylmethoxymethyl)-N,4-dimethylpentan-1-amine (CID 106930588) is 2-(cyclopropylmethoxymethyl)-N,4-dimethylpentan-1-amine.
What is the SMILES notation for 2-(cyclopropylmethoxymethyl)-N,4-dimethylpentan-1-amine?
The canonical SMILES for 2-(cyclopropylmethoxymethyl)-N,4-dimethylpentan-1-amine is CNCC(COCC1CC1)CC(C)C.
What is the InChIKey of 2-(cyclopropylmethoxymethyl)-N,4-dimethylpentan-1-amine?
The InChIKey is KQGUOWMVZNEGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(2)6-12(7-13-3)9-14-8-11-4-5-11/h10-13H,4-9H2,1-3H3.
What are the key properties of 2-(cyclopropylmethoxymethyl)-N,4-dimethylpentan-1-amine?
2-(cyclopropylmethoxymethyl)-N,4-dimethylpentan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxymethyl)-N,4-dimethylpentan-1-amine is sourced from PubChem (CID 106930588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).