N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine

C17H34N2O — CID 62260391

IUPACN-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(CN(CC2CC2)C(C)C)CCOC1
InChIInChI=1S/C17H34N2O/c1-14(2)9-18-11-17(7-8-20-13-17)12-19(15(3)4)10-16-5-6-16/h14-16,18H,5-13H2,1-4H3
InChIKeyQKMURAVDRQOWAM-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.76
Rot. Bonds9

About N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine

N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62260391) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID62260391
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC NameN-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(CN(CC2CC2)C(C)C)CCOC1
InChIInChI=1S/C17H34N2O/c1-14(2)9-18-11-17(7-8-20-13-17)12-19(15(3)4)10-16-5-6-16/h14-16,18H,5-13H2,1-4H3
InChIKeyQKMURAVDRQOWAM-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine (CID 62260391) is N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1(CN(CC2CC2)C(C)C)CCOC1.
What is the InChIKey of N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is QKMURAVDRQOWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-14(2)9-18-11-17(7-8-20-13-17)12-19(15(3)4)10-16-5-6-16/h14-16,18H,5-13H2,1-4H3.
What are the key properties of N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine?
N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 282.47 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62260391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).