N-butan-2-yl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]butan-1-amine

C17H36N2O — CID 62412291

IUPACN-butan-2-yl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]butan-1-amine
SMILESCCCCN(CC1CCC(CNCCC)O1)C(C)CC
InChIInChI=1S/C17H36N2O/c1-5-8-12-19(15(4)7-3)14-17-10-9-16(20-17)13-18-11-6-2/h15-18H,5-14H2,1-4H3
InChIKeyPEFFYEYNHBLFRF-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.43
Rot. Bonds11

About N-butan-2-yl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]butan-1-amine

N-butan-2-yl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]butan-1-amine (PubChem CID 62412291) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is N-butan-2-yl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]butan-1-amine
PubChem CID62412291
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC NameN-butan-2-yl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]butan-1-amine
SMILESCCCCN(CC1CCC(CNCCC)O1)C(C)CC
InChIInChI=1S/C17H36N2O/c1-5-8-12-19(15(4)7-3)14-17-10-9-16(20-17)13-18-11-6-2/h15-18H,5-14H2,1-4H3
InChIKeyPEFFYEYNHBLFRF-UHFFFAOYSA-N
XLogP3.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.43
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-(2-methoxyethyl)-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]butan-2-amine
CID 62461013
N-[[5-[[propan-2-yl(propyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 55074978
N-(2-methylpropyl)-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]pentan-3-amine
CID 79490040
N-methyl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]pentan-1-amine
CID 55074744
N-ethyl-N-[[5-[(2-methylpropylamino)methyl]oxolan-2-yl]methyl]butan-2-amine
CID 62422388
N-[[5-[[cyclopropylmethyl(propyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62431296
N'-butan-2-yl-N'-butyl-N-propylbutane-1,4-diamine
CID 55069340
N,N-dimethyl-N'-propyl-N'-[[5-(propylaminomethyl)oxolan-2-yl]methyl]ethane-1,2-diamine
CID 62436901
2-[[butan-2-yl(butyl)amino]methyl]-N-propylcyclopentan-1-amine
CID 63493052
N-[[5-(butoxymethyl)oxolan-2-yl]methyl]propan-1-amine
CID 62450434
N-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62437687
N-[[5-[[methyl(2-methylsulfonylethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 79858503

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]butan-1-amine?
The IUPAC name of N-butan-2-yl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]butan-1-amine (CID 62412291) is N-butan-2-yl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]butan-1-amine.
What is the SMILES notation for N-butan-2-yl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]butan-1-amine?
The canonical SMILES for N-butan-2-yl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]butan-1-amine is CCCCN(CC1CCC(CNCCC)O1)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]butan-1-amine?
The InChIKey is PEFFYEYNHBLFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-5-8-12-19(15(4)7-3)14-17-10-9-16(20-17)13-18-11-6-2/h15-18H,5-14H2,1-4H3.
What are the key properties of N-butan-2-yl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]butan-1-amine?
N-butan-2-yl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]butan-1-amine has a molecular weight of 284.49 g/mol, XLogP of 3.43, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]butan-1-amine is sourced from PubChem (CID 62412291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).