N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine

C18H34N2O — CID 63683736

IUPACN-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCC(CN(C)CC2CC3CCC2C3)O1
InChIInChI=1S/C18H34N2O/c1-3-8-19-11-17-6-7-18(21-17)13-20(2)12-16-10-14-4-5-15(16)9-14/h14-19H,3-13H2,1-2H3
InChIKeyUELNXRLIZFZHSJ-UHFFFAOYSA-N
MW294.48 g/mol
LogP2.90
Rot. Bonds8

About N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine

N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine (PubChem CID 63683736) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
PubChem CID63683736
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC NameN-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCC(CN(C)CC2CC3CCC2C3)O1
InChIInChI=1S/C18H34N2O/c1-3-8-19-11-17-6-7-18(21-17)13-20(2)12-16-10-14-4-5-15(16)9-14/h14-19H,3-13H2,1-2H3
InChIKeyUELNXRLIZFZHSJ-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 63234318
N-methyl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]pentan-1-amine
CID 55074744
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-(cyclopropylmethyl)-N'-methylethane-1,2-diamine
CID 55232044
N-[[5-[[methyl(2-methylsulfonylethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 79858503
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,3-dimethyl-1-N-propylbutane-1,2-diamine
CID 63682556
N-[[5-[[cyclopropylmethyl(propyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62431296
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55233639
N-[[2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 63682547
N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 63682543
N,N-dimethyl-N'-propyl-N'-[[5-(propylaminomethyl)oxolan-2-yl]methyl]ethane-1,2-diamine
CID 62436901
N-(2-bicyclo[2.2.1]heptanylmethyl)-N'-ethyl-N,2-dimethylpropane-1,3-diamine
CID 63681849
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-methylpropane-1,2-diamine
CID 63681727

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine (CID 63683736) is N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine is CCCNCC1CCC(CN(C)CC2CC3CCC2C3)O1.
What is the InChIKey of N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine?
The InChIKey is UELNXRLIZFZHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-3-8-19-11-17-6-7-18(21-17)13-20(2)12-16-10-14-4-5-15(16)9-14/h14-19H,3-13H2,1-2H3.
What are the key properties of N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine?
N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine has a molecular weight of 294.48 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 63683736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).