2-(cyclopropylmethoxymethyl)-N-ethyl-4-methylpentan-1-amine

C13H27NO — CID 106930589

IUPAC2-(cyclopropylmethoxymethyl)-N-ethyl-4-methylpentan-1-amine
SMILESCCNCC(COCC1CC1)CC(C)C
InChIInChI=1S/C13H27NO/c1-4-14-8-13(7-11(2)3)10-15-9-12-5-6-12/h11-14H,4-10H2,1-3H3
InChIKeyFALNOOLOKUIXIM-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.68
Rot. Bonds9

About 2-(cyclopropylmethoxymethyl)-N-ethyl-4-methylpentan-1-amine

2-(cyclopropylmethoxymethyl)-N-ethyl-4-methylpentan-1-amine (PubChem CID 106930589) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-(cyclopropylmethoxymethyl)-N-ethyl-4-methylpentan-1-amine.

Molecular Properties

Compound Name2-(cyclopropylmethoxymethyl)-N-ethyl-4-methylpentan-1-amine
PubChem CID106930589
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-(cyclopropylmethoxymethyl)-N-ethyl-4-methylpentan-1-amine
SMILESCCNCC(COCC1CC1)CC(C)C
InChIInChI=1S/C13H27NO/c1-4-14-8-13(7-11(2)3)10-15-9-12-5-6-12/h11-14H,4-10H2,1-3H3
InChIKeyFALNOOLOKUIXIM-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethoxymethyl)-N,4-dimethylpentan-1-amine
CID 106930588
2-(ethoxymethyl)-N-ethyl-4-methylpentan-1-amine
CID 103984222
2-(cyclopropylmethoxymethyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine
CID 106930678
3-(cyclopropylmethoxy)-N-ethyl-2-(4-methylphenyl)propan-1-amine
CID 106930862
2-(cyclopropylmethoxymethyl)-3-methyl-N-propylbutan-1-amine
CID 106930604
2-(cyclopropylmethoxy)-N-ethylbutan-1-amine
CID 62457065
1-(cyclopropylmethoxy)-3-(2-ethylhexylamino)propan-2-ol
CID 103600432
2-(cyclopropylmethoxymethyl)-3-(4-fluorophenyl)-N-propylpropan-1-amine
CID 106930624
N-[2-(cyclopropylmethoxy)ethyl]-2-methylbutan-1-amine
CID 103897079
2-(cyclopropylmethoxymethyl)butane-1-sulfonamide
CID 64999436
N-ethyl-2-(2-methylpropyl)decan-1-amine
CID 55194495
(2R)-1-(cyclopropylmethoxy)-3-[[(2R)-5-methylhexan-2-yl]amino]propan-2-ol
CID 95357731

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxymethyl)-N-ethyl-4-methylpentan-1-amine?
The IUPAC name of 2-(cyclopropylmethoxymethyl)-N-ethyl-4-methylpentan-1-amine (CID 106930589) is 2-(cyclopropylmethoxymethyl)-N-ethyl-4-methylpentan-1-amine.
What is the SMILES notation for 2-(cyclopropylmethoxymethyl)-N-ethyl-4-methylpentan-1-amine?
The canonical SMILES for 2-(cyclopropylmethoxymethyl)-N-ethyl-4-methylpentan-1-amine is CCNCC(COCC1CC1)CC(C)C.
What is the InChIKey of 2-(cyclopropylmethoxymethyl)-N-ethyl-4-methylpentan-1-amine?
The InChIKey is FALNOOLOKUIXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-14-8-13(7-11(2)3)10-15-9-12-5-6-12/h11-14H,4-10H2,1-3H3.
What are the key properties of 2-(cyclopropylmethoxymethyl)-N-ethyl-4-methylpentan-1-amine?
2-(cyclopropylmethoxymethyl)-N-ethyl-4-methylpentan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.68, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxymethyl)-N-ethyl-4-methylpentan-1-amine is sourced from PubChem (CID 106930589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).