N-(2-methylpropyl)-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]pentan-3-amine

C18H38N2O — CID 79490040

IUPACN-(2-methylpropyl)-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]pentan-3-amine
SMILESCCCNCC1CCC(CN(CC(C)C)C(CC)CC)O1
InChIInChI=1S/C18H38N2O/c1-6-11-19-12-17-9-10-18(21-17)14-20(13-15(4)5)16(7-2)8-3/h15-19H,6-14H2,1-5H3
InChIKeySBTPFUULVUDAMT-UHFFFAOYSA-N
MW298.52 g/mol
LogP3.68
Rot. Bonds11

About N-(2-methylpropyl)-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]pentan-3-amine

N-(2-methylpropyl)-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]pentan-3-amine (PubChem CID 79490040) has the molecular formula C18H38N2O and a molecular weight of 298.52 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]pentan-3-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]pentan-3-amine
PubChem CID79490040
Molecular FormulaC18H38N2O
Molecular Weight298.52 g/mol
Exact Mass298.30
IUPAC NameN-(2-methylpropyl)-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]pentan-3-amine
SMILESCCCNCC1CCC(CN(CC(C)C)C(CC)CC)O1
InChIInChI=1S/C18H38N2O/c1-6-11-19-12-17-9-10-18(21-17)14-20(13-15(4)5)16(7-2)8-3/h15-19H,6-14H2,1-5H3
InChIKeySBTPFUULVUDAMT-UHFFFAOYSA-N
XLogP3.68
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.52
LogP ≤ 53.68
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-[[5-[[propan-2-yl(propyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 55074978
N-butan-2-yl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]butan-1-amine
CID 62412291
N-(2-methoxyethyl)-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]butan-2-amine
CID 62461013
N-ethyl-N-[[5-[(2-methylpropylamino)methyl]oxolan-2-yl]methyl]butan-2-amine
CID 62422388
2-N,2-N-bis(2-methylpropyl)-1-N-propylbutane-1,2-diamine
CID 55074297
N-[[5-[[cyclopropylmethyl(propyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62431296
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-methyl-N-[[5-[(2-methylpropylamino)methyl]oxolan-2-yl]methyl]-1-methylsulfanylbutan-2-amine
CID 115987811
N,N-bis(2-methylpropyl)pentan-3-amine
CID 20735455
N,N-dimethyl-N'-propyl-N'-[[5-(propylaminomethyl)oxolan-2-yl]methyl]ethane-1,2-diamine
CID 62436901
N'-(2-methylpropyl)-N-(oxolan-3-ylmethyl)-N'-pentan-3-ylethane-1,2-diamine
CID 79490780

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]pentan-3-amine?
The IUPAC name of N-(2-methylpropyl)-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]pentan-3-amine (CID 79490040) is N-(2-methylpropyl)-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]pentan-3-amine.
What is the SMILES notation for N-(2-methylpropyl)-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]pentan-3-amine?
The canonical SMILES for N-(2-methylpropyl)-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]pentan-3-amine is CCCNCC1CCC(CN(CC(C)C)C(CC)CC)O1.
What is the InChIKey of N-(2-methylpropyl)-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]pentan-3-amine?
The InChIKey is SBTPFUULVUDAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-6-11-19-12-17-9-10-18(21-17)14-20(13-15(4)5)16(7-2)8-3/h15-19H,6-14H2,1-5H3.
What are the key properties of N-(2-methylpropyl)-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]pentan-3-amine?
N-(2-methylpropyl)-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]pentan-3-amine has a molecular weight of 298.52 g/mol, XLogP of 3.68, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]pentan-3-amine is sourced from PubChem (CID 79490040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).