N-[[5-[[cyclopropylmethyl(propyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine

C16H32N2O — CID 62431296

IUPACN-[[5-[[cyclopropylmethyl(propyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCC(CN(CCC)CC2CC2)O1
InChIInChI=1S/C16H32N2O/c1-3-9-17-11-15-7-8-16(19-15)13-18(10-4-2)12-14-5-6-14/h14-17H,3-13H2,1-2H3
InChIKeyJROGCNJVZGOMAP-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.66
Rot. Bonds10

About N-[[5-[[cyclopropylmethyl(propyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine

N-[[5-[[cyclopropylmethyl(propyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine (PubChem CID 62431296) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-[[5-[[cyclopropylmethyl(propyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[[cyclopropylmethyl(propyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
PubChem CID62431296
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-[[5-[[cyclopropylmethyl(propyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCC(CN(CCC)CC2CC2)O1
InChIInChI=1S/C16H32N2O/c1-3-9-17-11-15-7-8-16(19-15)13-18(10-4-2)12-14-5-6-14/h14-17H,3-13H2,1-2H3
InChIKeyJROGCNJVZGOMAP-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-N'-propyl-N'-[[5-(propylaminomethyl)oxolan-2-yl]methyl]ethane-1,2-diamine
CID 62436901
N-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62437687
N-methyl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]pentan-1-amine
CID 55074744
N-[[5-[[propan-2-yl(propyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 55074978
N,N'-bis(cyclopropylmethyl)-N'-propylethane-1,2-diamine
CID 61443394
N-[[5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 63234318
N-(cyclopentylmethyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine
CID 55089985
N-[[5-[[methyl(2-methylsulfonylethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 79858503
N-[[5-[[benzyl(ethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62419666
N-butan-2-yl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]butan-1-amine
CID 62412291
N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 63683736
N-(2-methoxyethyl)-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]butan-2-amine
CID 62461013

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[cyclopropylmethyl(propyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[[cyclopropylmethyl(propyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine (CID 62431296) is N-[[5-[[cyclopropylmethyl(propyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[[cyclopropylmethyl(propyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[[cyclopropylmethyl(propyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine is CCCNCC1CCC(CN(CCC)CC2CC2)O1.
What is the InChIKey of N-[[5-[[cyclopropylmethyl(propyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine?
The InChIKey is JROGCNJVZGOMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-9-17-11-15-7-8-16(19-15)13-18(10-4-2)12-14-5-6-14/h14-17H,3-13H2,1-2H3.
What are the key properties of N-[[5-[[cyclopropylmethyl(propyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine?
N-[[5-[[cyclopropylmethyl(propyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine has a molecular weight of 268.44 g/mol, XLogP of 2.66, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[cyclopropylmethyl(propyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62431296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).