N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine

C15H28N2O — CID 106316821

IUPACN-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCC(CN2CCC=C(C)C2)O1
InChIInChI=1S/C15H28N2O/c1-3-8-16-10-14-6-7-15(18-14)12-17-9-4-5-13(2)11-17/h5,14-16H,3-4,6-12H2,1-2H3
InChIKeyVCFRKEQATSUTIW-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.19
Rot. Bonds6

About N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine

N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine (PubChem CID 106316821) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
PubChem CID106316821
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCC(CN2CCC=C(C)C2)O1
InChIInChI=1S/C15H28N2O/c1-3-8-16-10-14-6-7-15(18-14)12-17-9-4-5-13(2)11-17/h5,14-16H,3-4,6-12H2,1-2H3
InChIKeyVCFRKEQATSUTIW-UHFFFAOYSA-N
XLogP2.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 75443988
[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methanamine
CID 114490134
N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 114490620
N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]propan-2-amine
CID 114490649
N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 114490695
N-methyl-1-[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methanamine
CID 114490720
N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]ethanamine
CID 114490730
N-[2-(cyclohexen-1-yl)ethyl]-N'-(tetrahydrofuran-2-ylmethyl)ethane-1,2-diamine
CID 16076660
(3Z,5Z)-2,5-dimethylhepta-1,3,5-triene;N-methyl-1-(oxolan-2-yl)methanamine;molecular hydrogen;uranium
CID 144380498
(1S,2S)-2-methoxy-1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)propan-1-amine
CID 146535821
1-cyclohex-2-en-1-yl-N-(oxolan-2-ylmethyl)methanamine
CID 24077809
1-(3-methylbut-2-enyl)-N-(oxolan-2-ylmethyl)piperidin-4-amine
CID 43765468

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine (CID 106316821) is N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine is CCCNCC1CCC(CN2CCC=C(C)C2)O1.
What is the InChIKey of N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine?
The InChIKey is VCFRKEQATSUTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-3-8-16-10-14-6-7-15(18-14)12-17-9-4-5-13(2)11-17/h5,14-16H,3-4,6-12H2,1-2H3.
What are the key properties of N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine?
N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine has a molecular weight of 252.40 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 106316821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).