N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-(2-methylpropyl)cyclopropanamine

C15H30N2O — CID 55056335

IUPACN-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-(2-methylpropyl)cyclopropanamine
SMILESCCNCC1(CN(CC(C)C)C2CC2)CCOC1
InChIInChI=1S/C15H30N2O/c1-4-16-10-15(7-8-18-12-15)11-17(9-13(2)3)14-5-6-14/h13-14,16H,4-12H2,1-3H3
InChIKeyJCJAHWCTTCMKLJ-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.12
Rot. Bonds8

About N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-(2-methylpropyl)cyclopropanamine

N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-(2-methylpropyl)cyclopropanamine (PubChem CID 55056335) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-(2-methylpropyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-(2-methylpropyl)cyclopropanamine
PubChem CID55056335
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-(2-methylpropyl)cyclopropanamine
SMILESCCNCC1(CN(CC(C)C)C2CC2)CCOC1
InChIInChI=1S/C15H30N2O/c1-4-16-10-15(7-8-18-12-15)11-17(9-13(2)3)14-5-6-14/h13-14,16H,4-12H2,1-3H3
InChIKeyJCJAHWCTTCMKLJ-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3S)-oxolan-3-yl]methyl]cyclopropanamine
CID 30427697
N-(oxolan-3-ylmethyl)cyclopropanamine
CID 16228723
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 55055990
N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 55056037
N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 55056562
N-[[3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62255855
N-[[3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62255856
N-[[3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62255857
N-[[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 62255868
2-methyl-N-[[3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62256027
2-methyl-N-[[3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62256028
N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 62256048

Frequently Asked Questions

What is the IUPAC name of N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-(2-methylpropyl)cyclopropanamine?
The IUPAC name of N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-(2-methylpropyl)cyclopropanamine (CID 55056335) is N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-(2-methylpropyl)cyclopropanamine.
What is the SMILES notation for N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-(2-methylpropyl)cyclopropanamine?
The canonical SMILES for N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-(2-methylpropyl)cyclopropanamine is CCNCC1(CN(CC(C)C)C2CC2)CCOC1.
What is the InChIKey of N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-(2-methylpropyl)cyclopropanamine?
The InChIKey is JCJAHWCTTCMKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-16-10-15(7-8-18-12-15)11-17(9-13(2)3)14-5-6-14/h13-14,16H,4-12H2,1-3H3.
What are the key properties of N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-(2-methylpropyl)cyclopropanamine?
N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-(2-methylpropyl)cyclopropanamine has a molecular weight of 254.42 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-(2-methylpropyl)cyclopropanamine is sourced from PubChem (CID 55056335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).