N,2-dimethyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine

C14H28N2O — CID 113498784

IUPACN,2-dimethyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine
SMILESC=C(C)CN(C)CC1CCC(CNC(C)C)O1
InChIInChI=1S/C14H28N2O/c1-11(2)9-16(5)10-14-7-6-13(17-14)8-15-12(3)4/h12-15H,1,6-10H2,2-5H3
InChIKeyIKZLNYITPCGHQD-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.04
Rot. Bonds7

About N,2-dimethyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine

N,2-dimethyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine (PubChem CID 113498784) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N,2-dimethyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine
PubChem CID113498784
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN,2-dimethyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine
SMILESC=C(C)CN(C)CC1CCC(CNC(C)C)O1
InChIInChI=1S/C14H28N2O/c1-11(2)9-16(5)10-14-7-6-13(17-14)8-15-12(3)4/h12-15H,1,6-10H2,2-5H3
InChIKeyIKZLNYITPCGHQD-UHFFFAOYSA-N
XLogP2.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-[[methyl(2-methylprop-2-enyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 113498809
N-[[5-[[ethyl(methyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine
CID 62419141
N-[[5-[[methyl(oxolan-2-ylmethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine
CID 62437130
N-[[5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]oxolan-2-yl]methyl]propan-2-amine
CID 62419615
N,2-dimethyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]butan-2-amine
CID 63965449
N-[[5-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine
CID 62420415
N-(2-methylpropyl)-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62428846
N-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]aniline
CID 55070066
N-ethyl-2-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]prop-2-en-1-amine
CID 62418405
5-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid
CID 62298899
N-(2-methoxyethyl)-2-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62429433
N-[[5-(pyrrolidin-1-ylmethyl)oxolan-2-yl]methyl]propan-2-amine
CID 62437899

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine?
The IUPAC name of N,2-dimethyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine (CID 113498784) is N,2-dimethyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine.
What is the SMILES notation for N,2-dimethyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine?
The canonical SMILES for N,2-dimethyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine is C=C(C)CN(C)CC1CCC(CNC(C)C)O1.
What is the InChIKey of N,2-dimethyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine?
The InChIKey is IKZLNYITPCGHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11(2)9-16(5)10-14-7-6-13(17-14)8-15-12(3)4/h12-15H,1,6-10H2,2-5H3.
What are the key properties of N,2-dimethyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine?
N,2-dimethyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine has a molecular weight of 240.39 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine is sourced from PubChem (CID 113498784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).