N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(4-propan-2-ylphenyl)ethanamine

C17H28N2 — CID 115244371

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(CCN(C)CC2(CN)CC2)cc1
InChIInChI=1S/C17H28N2/c1-14(2)16-6-4-15(5-7-16)8-11-19(3)13-17(12-18)9-10-17/h4-7,14H,8-13,18H2,1-3H3
InChIKeyAGRINFGHGFUHMG-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.02
Rot. Bonds7

About N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(4-propan-2-ylphenyl)ethanamine

N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(4-propan-2-ylphenyl)ethanamine (PubChem CID 115244371) 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-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
PubChem CID115244371
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(CCN(C)CC2(CN)CC2)cc1
InChIInChI=1S/C17H28N2/c1-14(2)16-6-4-15(5-7-16)8-11-19(3)13-17(12-18)9-10-17/h4-7,14H,8-13,18H2,1-3H3
InChIKeyAGRINFGHGFUHMG-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)-N-methylethanamine
CID 115245958
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-4-propan-2-ylbenzamide
CID 115272619
N-[[1-(aminomethyl)cyclopropyl]methyl]-N,3-dimethylbutan-1-amine
CID 115453726
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(1H-pyrrol-2-yl)ethanamine
CID 115244397
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(2,4,5-trimethylphenyl)ethanamine
CID 115244399
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-fluorophenyl)-N-methylethanamine
CID 115245973
4-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]aniline
CID 105413529
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 115245756
1-methyl-1-[2-(4-propan-2-ylphenyl)ethyl]urea
CID 115168591
[3-[(4-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine
CID 116930450
N,N-diethyl-2-(4-propan-2-ylphenyl)ethanamine
CID 138483696
[1-[[2-(4-ethoxyphenyl)ethyl-methylamino]methyl]cyclopropyl]methanol
CID 115243738

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(4-propan-2-ylphenyl)ethanamine (CID 115244371) is N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(4-propan-2-ylphenyl)ethanamine is CC(C)c1ccc(CCN(C)CC2(CN)CC2)cc1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is AGRINFGHGFUHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14(2)16-6-4-15(5-7-16)8-11-19(3)13-17(12-18)9-10-17/h4-7,14H,8-13,18H2,1-3H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(4-propan-2-ylphenyl)ethanamine?
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.02, 7 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-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 115244371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).