N-(cyclopropylmethyl)-3-[(dimethylamino)methyl]aniline

C13H20N2 — CID 43688859

IUPACN-(cyclopropylmethyl)-3-[(dimethylamino)methyl]aniline
SMILESCN(C)Cc1cccc(NCC2CC2)c1
InChIInChI=1S/C13H20N2/c1-15(2)10-12-4-3-5-13(8-12)14-9-11-6-7-11/h3-5,8,11,14H,6-7,9-10H2,1-2H3
InChIKeyLCZOIFFWYMBPDY-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.57
Rot. Bonds5

About N-(cyclopropylmethyl)-3-[(dimethylamino)methyl]aniline

N-(cyclopropylmethyl)-3-[(dimethylamino)methyl]aniline (PubChem CID 43688859) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-[(dimethylamino)methyl]aniline.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-[(dimethylamino)methyl]aniline
PubChem CID43688859
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-(cyclopropylmethyl)-3-[(dimethylamino)methyl]aniline
SMILESCN(C)Cc1cccc(NCC2CC2)c1
InChIInChI=1S/C13H20N2/c1-15(2)10-12-4-3-5-13(8-12)14-9-11-6-7-11/h3-5,8,11,14H,6-7,9-10H2,1-2H3
InChIKeyLCZOIFFWYMBPDY-UHFFFAOYSA-N
XLogP2.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclohexylmethyl)-3-[(dimethylamino)methyl]aniline
CID 43435745
N-(cyclopropylmethyl)-3-methylaniline
CID 43560243
N-methyl-N-[[3-[(1-methylpiperidin-4-yl)methylamino]phenyl]methyl]acetamide
CID 62659590
3-tert-butyl-N-(cyclopropylmethyl)aniline
CID 139034986
3-[(dimethylamino)methyl]-N-pentylaniline
CID 43688686
N-(cyclopentylmethyl)-3-[[4-(diethylaminomethyl)phenyl]methyl]aniline
CID 71192487
3-[(dimethylamino)methyl]-N-phenylaniline
CID 173320558
1-N-(cycloheptylmethyl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376208
N-[(4-aminophenyl)methyl]-3-[(dimethylamino)methyl]aniline
CID 83962509
3-(methoxymethyl)-N-(piperidin-4-ylmethyl)aniline
CID 79707110
1-(cyclopropylmethyl)-2-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-ethylguanidine;hydroiodide
CID 111870241
3-(methoxymethyl)-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62655260

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-[(dimethylamino)methyl]aniline?
The IUPAC name of N-(cyclopropylmethyl)-3-[(dimethylamino)methyl]aniline (CID 43688859) is N-(cyclopropylmethyl)-3-[(dimethylamino)methyl]aniline.
What is the SMILES notation for N-(cyclopropylmethyl)-3-[(dimethylamino)methyl]aniline?
The canonical SMILES for N-(cyclopropylmethyl)-3-[(dimethylamino)methyl]aniline is CN(C)Cc1cccc(NCC2CC2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-3-[(dimethylamino)methyl]aniline?
The InChIKey is LCZOIFFWYMBPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-15(2)10-12-4-3-5-13(8-12)14-9-11-6-7-11/h3-5,8,11,14H,6-7,9-10H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-3-[(dimethylamino)methyl]aniline?
N-(cyclopropylmethyl)-3-[(dimethylamino)methyl]aniline has a molecular weight of 204.32 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-[(dimethylamino)methyl]aniline is sourced from PubChem (CID 43688859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).