N-[[4-[[methyl(oxan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine

C18H28N2O — CID 62430129

IUPACN-[[4-[[methyl(oxan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine
SMILESCN(Cc1ccc(CNC2CC2)cc1)CC1CCCCO1
InChIInChI=1S/C18H28N2O/c1-20(14-18-4-2-3-11-21-18)13-16-7-5-15(6-8-16)12-19-17-9-10-17/h5-8,17-19H,2-4,9-14H2,1H3
InChIKeyTVEFJYFJGXTPPP-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.94
Rot. Bonds7

About N-[[4-[[methyl(oxan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine

N-[[4-[[methyl(oxan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine (PubChem CID 62430129) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N-[[4-[[methyl(oxan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[[methyl(oxan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine
PubChem CID62430129
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN-[[4-[[methyl(oxan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine
SMILESCN(Cc1ccc(CNC2CC2)cc1)CC1CCCCO1
InChIInChI=1S/C18H28N2O/c1-20(14-18-4-2-3-11-21-18)13-16-7-5-15(6-8-16)12-19-17-9-10-17/h5-8,17-19H,2-4,9-14H2,1H3
InChIKeyTVEFJYFJGXTPPP-UHFFFAOYSA-N
XLogP2.94
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[[methyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62435538
4-[[methyl(oxan-2-ylmethyl)amino]methyl]benzenecarbothioamide
CID 61431885
N-methyl-N-(oxan-2-ylmethyl)-4-[(propan-2-ylamino)methyl]aniline
CID 61432168
2-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 81149095
N,N-dimethyl-5-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]pyrimidin-2-amine
CID 99576651
6-[(cyclopropylamino)methyl]-N-methyl-N-(oxan-2-ylmethyl)pyridazin-3-amine
CID 62281484
2-fluoro-5-[[methyl(oxan-2-ylmethyl)amino]methyl]benzonitrile
CID 103758414
2-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 61436320
N-[[3-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenyl]methyl]propan-2-amine
CID 62436952
6-[(cyclopropylamino)methyl]-N-methyl-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 62281474
2-fluoro-4-[[methyl(oxan-2-ylmethyl)amino]methyl]benzoic acid
CID 106699147
4-(ethylaminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 61432121

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[methyl(oxan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[[methyl(oxan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine (CID 62430129) is N-[[4-[[methyl(oxan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[[methyl(oxan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[[methyl(oxan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine is CN(Cc1ccc(CNC2CC2)cc1)CC1CCCCO1.
What is the InChIKey of N-[[4-[[methyl(oxan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine?
The InChIKey is TVEFJYFJGXTPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-20(14-18-4-2-3-11-21-18)13-16-7-5-15(6-8-16)12-19-17-9-10-17/h5-8,17-19H,2-4,9-14H2,1H3.
What are the key properties of N-[[4-[[methyl(oxan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine?
N-[[4-[[methyl(oxan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine has a molecular weight of 288.43 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[methyl(oxan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62430129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).