N-(cyclopropylmethyl)-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]propan-2-amine

C15H30N2O — CID 55056402

IUPACN-(cyclopropylmethyl)-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]propan-2-amine
SMILESCCNCC1(CN(CC2CC2)C(C)C)CCOC1
InChIInChI=1S/C15H30N2O/c1-4-16-10-15(7-8-18-12-15)11-17(13(2)3)9-14-5-6-14/h13-14,16H,4-12H2,1-3H3
InChIKeyFNJGUVMAXBWHNC-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.12
Rot. Bonds8

About N-(cyclopropylmethyl)-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]propan-2-amine

N-(cyclopropylmethyl)-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]propan-2-amine (PubChem CID 55056402) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]propan-2-amine
PubChem CID55056402
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-(cyclopropylmethyl)-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]propan-2-amine
SMILESCCNCC1(CN(CC2CC2)C(C)C)CCOC1
InChIInChI=1S/C15H30N2O/c1-4-16-10-15(7-8-18-12-15)11-17(13(2)3)9-14-5-6-14/h13-14,16H,4-12H2,1-3H3
InChIKeyFNJGUVMAXBWHNC-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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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]propan-2-amine (CID 55056402) is N-(cyclopropylmethyl)-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]propan-2-amine is CCNCC1(CN(CC2CC2)C(C)C)CCOC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]propan-2-amine?
The InChIKey is FNJGUVMAXBWHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-16-10-15(7-8-18-12-15)11-17(13(2)3)9-14-5-6-14/h13-14,16H,4-12H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]propan-2-amine?
N-(cyclopropylmethyl)-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]propan-2-amine 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-(cyclopropylmethyl)-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 55056402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).