N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(2,4,5-trimethylphenyl)ethanamine

C17H28N2 — CID 115244399

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(2,4,5-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(CCN(C)CC2(CN)CC2)cc1C
InChIInChI=1S/C17H28N2/c1-13-9-15(3)16(10-14(13)2)5-8-19(4)12-17(11-18)6-7-17/h9-10H,5-8,11-12,18H2,1-4H3
InChIKeyMTMWQQMDZNKRJR-UHFFFAOYSA-N
MW260.43 g/mol
LogP2.83
Rot. Bonds6

About N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(2,4,5-trimethylphenyl)ethanamine

N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(2,4,5-trimethylphenyl)ethanamine (PubChem CID 115244399) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(2,4,5-trimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(2,4,5-trimethylphenyl)ethanamine
PubChem CID115244399
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(2,4,5-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(CCN(C)CC2(CN)CC2)cc1C
InChIInChI=1S/C17H28N2/c1-13-9-15(3)16(10-14(13)2)5-8-19(4)12-17(11-18)6-7-17/h9-10H,5-8,11-12,18H2,1-4H3
InChIKeyMTMWQQMDZNKRJR-UHFFFAOYSA-N
XLogP2.83
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]methanethiol
CID 115228428
2-[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]acetonitrile
CID 115131382
2-[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]acetaldehyde
CID 115223399
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(1H-pyrrol-2-yl)ethanamine
CID 115244397
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 115244371
N,N'-dimethyl-N'-[2-(2,4,5-trimethylphenyl)ethyl]methanediamine
CID 115227354
N-[[1-(aminomethyl)cyclopropyl]methyl]-N,3-dimethylbutan-1-amine
CID 115453726
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-fluorophenyl)-N-methylethanamine
CID 115245973
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)-N-methylethanamine
CID 115245958
3-N-methyl-3-N-[2-(2,4,5-trimethylphenyl)ethyl]butane-1,3-diamine
CID 117040471
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-methoxy-N-methylpropan-1-amine
CID 115453845
2-(2,4,5-trimethylphenyl)ethanamine;hydrochloride
CID 54602364

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(2,4,5-trimethylphenyl)ethanamine?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(2,4,5-trimethylphenyl)ethanamine (CID 115244399) is N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(2,4,5-trimethylphenyl)ethanamine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(2,4,5-trimethylphenyl)ethanamine?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(2,4,5-trimethylphenyl)ethanamine is Cc1cc(C)c(CCN(C)CC2(CN)CC2)cc1C.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(2,4,5-trimethylphenyl)ethanamine?
The InChIKey is MTMWQQMDZNKRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13-9-15(3)16(10-14(13)2)5-8-19(4)12-17(11-18)6-7-17/h9-10H,5-8,11-12,18H2,1-4H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(2,4,5-trimethylphenyl)ethanamine?
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(2,4,5-trimethylphenyl)ethanamine has a molecular weight of 260.43 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(2,4,5-trimethylphenyl)ethanamine is sourced from PubChem (CID 115244399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).