N-(2-methoxyethyl)-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]butan-2-amine

C16H34N2O2 — CID 62461013

IUPACN-(2-methoxyethyl)-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]butan-2-amine
SMILESCCCNCC1CCC(CN(CCOC)C(C)CC)O1
InChIInChI=1S/C16H34N2O2/c1-5-9-17-12-15-7-8-16(20-15)13-18(10-11-19-4)14(3)6-2/h14-17H,5-13H2,1-4H3
InChIKeyVKPKQWVYYMVGDC-UHFFFAOYSA-N
MW286.46 g/mol
LogP2.28
Rot. Bonds11

About N-(2-methoxyethyl)-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]butan-2-amine

N-(2-methoxyethyl)-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]butan-2-amine (PubChem CID 62461013) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]butan-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]butan-2-amine
PubChem CID62461013
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC NameN-(2-methoxyethyl)-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]butan-2-amine
SMILESCCCNCC1CCC(CN(CCOC)C(C)CC)O1
InChIInChI=1S/C16H34N2O2/c1-5-9-17-12-15-7-8-16(20-15)13-18(10-11-19-4)14(3)6-2/h14-17H,5-13H2,1-4H3
InChIKeyVKPKQWVYYMVGDC-UHFFFAOYSA-N
XLogP2.28
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]butan-1-amine
CID 62412291
N-[[5-[[propan-2-yl(propyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 55074978
N-[[5-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 82952810
N-(2-methylpropyl)-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]pentan-3-amine
CID 79490040
N-ethyl-N-[[5-[(2-methylpropylamino)methyl]oxolan-2-yl]methyl]butan-2-amine
CID 62422388
1-cyclopropyl-N-(2-methoxyethyl)-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]ethanamine
CID 62461299
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N-propylcyclopentan-1-amine
CID 62611397
N'-butan-2-yl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine
CID 62462963
N-methyl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]pentan-1-amine
CID 55074744
N-[[5-[[cyclopropylmethyl(propyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62431296
N,N-dimethyl-N'-propyl-N'-[[5-(propylaminomethyl)oxolan-2-yl]methyl]ethane-1,2-diamine
CID 62436901
N-[[5-[2-(2-methylpropoxy)ethoxymethyl]oxolan-2-yl]methyl]propan-1-amine
CID 106450120

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]butan-2-amine?
The IUPAC name of N-(2-methoxyethyl)-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]butan-2-amine (CID 62461013) is N-(2-methoxyethyl)-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]butan-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]butan-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]butan-2-amine is CCCNCC1CCC(CN(CCOC)C(C)CC)O1.
What is the InChIKey of N-(2-methoxyethyl)-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]butan-2-amine?
The InChIKey is VKPKQWVYYMVGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-5-9-17-12-15-7-8-16(20-15)13-18(10-11-19-4)14(3)6-2/h14-17H,5-13H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]butan-2-amine?
N-(2-methoxyethyl)-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]butan-2-amine has a molecular weight of 286.46 g/mol, XLogP of 2.28, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]butan-2-amine is sourced from PubChem (CID 62461013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).