3-[[benzyl(propan-2-yl)amino]methyl]-N-ethyloxan-4-amine

C18H30N2O — CID 103058468

IUPAC3-[[benzyl(propan-2-yl)amino]methyl]-N-ethyloxan-4-amine
SMILESCCNC1CCOCC1CN(Cc1ccccc1)C(C)C
InChIInChI=1S/C18H30N2O/c1-4-19-18-10-11-21-14-17(18)13-20(15(2)3)12-16-8-6-5-7-9-16/h5-9,15,17-19H,4,10-14H2,1-3H3
InChIKeyCQQVUFDRNAGVMH-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.91
Rot. Bonds7

About 3-[[benzyl(propan-2-yl)amino]methyl]-N-ethyloxan-4-amine

3-[[benzyl(propan-2-yl)amino]methyl]-N-ethyloxan-4-amine (PubChem CID 103058468) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 3-[[benzyl(propan-2-yl)amino]methyl]-N-ethyloxan-4-amine.

Molecular Properties

Compound Name3-[[benzyl(propan-2-yl)amino]methyl]-N-ethyloxan-4-amine
PubChem CID103058468
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name3-[[benzyl(propan-2-yl)amino]methyl]-N-ethyloxan-4-amine
SMILESCCNC1CCOCC1CN(Cc1ccccc1)C(C)C
InChIInChI=1S/C18H30N2O/c1-4-19-18-10-11-21-14-17(18)13-20(15(2)3)12-16-8-6-5-7-9-16/h5-9,15,17-19H,4,10-14H2,1-3H3
InChIKeyCQQVUFDRNAGVMH-UHFFFAOYSA-N
XLogP2.91
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[benzyl(propan-2-yl)amino]methyl]-N-ethyloxan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-3-[[2-methylpropyl(propan-2-yl)amino]methyl]oxan-4-amine
CID 103059669
N-ethyl-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]oxan-4-amine
CID 103059842
N-ethyl-3-[(4-ethyl-N-methylanilino)methyl]oxan-4-amine
CID 103059424
3-[[methyl(2-phenylethyl)amino]methyl]-N-propyloxan-4-amine
CID 103060387
3-[[(3-bromophenyl)methyl-methylamino]methyl]-N-ethyloxan-4-amine
CID 103059502
2-[[benzyl(propan-2-yl)amino]methyl]-N-methylcyclopentan-1-amine
CID 55094082
N-ethyl-3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine
CID 103059827
N-methyl-3-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]oxan-4-amine
CID 103059500
N-ethyl-3-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]oxan-4-amine
CID 103060638
(3R,4R)-3-[(4-chlorophenyl)methyl]-N-ethyloxan-4-amine
CID 97177537
N-ethyl-3-[[methyl-(4-methylcyclohexyl)amino]methyl]oxan-4-amine
CID 103059662
2-[[benzyl(propan-2-yl)amino]methyl]cycloheptan-1-amine
CID 62616237

Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(propan-2-yl)amino]methyl]-N-ethyloxan-4-amine?
The IUPAC name of 3-[[benzyl(propan-2-yl)amino]methyl]-N-ethyloxan-4-amine (CID 103058468) is 3-[[benzyl(propan-2-yl)amino]methyl]-N-ethyloxan-4-amine.
What is the SMILES notation for 3-[[benzyl(propan-2-yl)amino]methyl]-N-ethyloxan-4-amine?
The canonical SMILES for 3-[[benzyl(propan-2-yl)amino]methyl]-N-ethyloxan-4-amine is CCNC1CCOCC1CN(Cc1ccccc1)C(C)C.
What is the InChIKey of 3-[[benzyl(propan-2-yl)amino]methyl]-N-ethyloxan-4-amine?
The InChIKey is CQQVUFDRNAGVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-19-18-10-11-21-14-17(18)13-20(15(2)3)12-16-8-6-5-7-9-16/h5-9,15,17-19H,4,10-14H2,1-3H3.
What are the key properties of 3-[[benzyl(propan-2-yl)amino]methyl]-N-ethyloxan-4-amine?
3-[[benzyl(propan-2-yl)amino]methyl]-N-ethyloxan-4-amine has a molecular weight of 290.45 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(propan-2-yl)amino]methyl]-N-ethyloxan-4-amine is sourced from PubChem (CID 103058468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).