N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine

C18H28N2O — CID 102896446

IUPACN-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
SMILESCN(Cc1ccccc1CN)CC1CCC2(CCCC2)O1
InChIInChI=1S/C18H28N2O/c1-20(13-16-7-3-2-6-15(16)12-19)14-17-8-11-18(21-17)9-4-5-10-18/h2-3,6-7,17H,4-5,8-14,19H2,1H3
InChIKeyCZIMBQUNUJRWDA-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.07
Rot. Bonds5

About N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine

N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine (PubChem CID 102896446) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
PubChem CID102896446
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
SMILESCN(Cc1ccccc1CN)CC1CCC2(CCCC2)O1
InChIInChI=1S/C18H28N2O/c1-20(13-16-7-3-2-6-15(16)12-19)14-17-8-11-18(21-17)9-4-5-10-18/h2-3,6-7,17H,4-5,8-14,19H2,1H3
InChIKeyCZIMBQUNUJRWDA-UHFFFAOYSA-N
XLogP3.07
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline
CID 102896490
3-methoxy-2-methyl-5-[[methyl(1-oxaspiro[4.6]undecan-2-ylmethyl)amino]methyl]-1H-pyridin-4-one
CID 146139195
2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102900869
2-[2-(aminomethyl)phenyl]-N-(cyclopentylmethyl)-N-methylethanamine
CID 81322135
N,N'-dimethyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine
CID 102898474
[2-[(dimethylamino)methyl]phenyl]methanamine
CID 4962718
N-[(2-methylphenyl)methyl]-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896894
2-benzyl-3-(1-oxaspiro[4.4]nonan-2-yl)propan-1-amine
CID 102900183
3-methoxy-1-N-methyl-1-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,2-diamine
CID 102900998
2-[[cyclopentylmethyl(methyl)amino]methyl]aniline
CID 61343922
N-[[2-(aminomethyl)phenyl]methyl]-N-(cyclopropylmethyl)propan-2-amine
CID 55001479
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 107113400

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine (CID 102896446) is N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine is CN(Cc1ccccc1CN)CC1CCC2(CCCC2)O1.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine?
The InChIKey is CZIMBQUNUJRWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-20(13-16-7-3-2-6-15(16)12-19)14-17-8-11-18(21-17)9-4-5-10-18/h2-3,6-7,17H,4-5,8-14,19H2,1H3.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine?
N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine has a molecular weight of 288.43 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine is sourced from PubChem (CID 102896446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).