N-(cyclopropylmethyl)-2-[(dimethylamino)methyl]aniline

C13H20N2 — CID 43750217

IUPACN-(cyclopropylmethyl)-2-[(dimethylamino)methyl]aniline
SMILESCN(C)Cc1ccccc1NCC1CC1
InChIInChI=1S/C13H20N2/c1-15(2)10-12-5-3-4-6-13(12)14-9-11-7-8-11/h3-6,11,14H,7-10H2,1-2H3
InChIKeyKNEAQDLIPUSWHA-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.57
Rot. Bonds5

About N-(cyclopropylmethyl)-2-[(dimethylamino)methyl]aniline

N-(cyclopropylmethyl)-2-[(dimethylamino)methyl]aniline (PubChem CID 43750217) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(dimethylamino)methyl]aniline.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[(dimethylamino)methyl]aniline
PubChem CID43750217
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-(cyclopropylmethyl)-2-[(dimethylamino)methyl]aniline
SMILESCN(C)Cc1ccccc1NCC1CC1
InChIInChI=1S/C13H20N2/c1-15(2)10-12-5-3-4-6-13(12)14-9-11-7-8-11/h3-6,11,14H,7-10H2,1-2H3
InChIKeyKNEAQDLIPUSWHA-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-(cyclopentylmethyl)-2-(diethylaminomethyl)aniline
CID 55034710
2-(diethylaminomethyl)-N-(oxan-4-ylmethyl)aniline
CID 62386684
2-(ethoxymethyl)-N-(piperidin-4-ylmethyl)aniline
CID 79707928
N-(2,2-diethoxyethyl)-2-[(dimethylamino)methyl]aniline
CID 122228815
N-(cyclohex-3-en-1-ylmethyl)-2-(methoxymethyl)aniline
CID 43677789
2-[[2-[(dimethylamino)methyl]anilino]methyl]-2-methylbutan-1-ol
CID 81418794
2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(cyclopropylmethyl)acetamide
CID 78842111
2-(diethylaminomethyl)-N-(piperidin-3-ylmethyl)aniline
CID 80554129
2-amino-2-cyclopropyl-N-[2-[(dimethylamino)methyl]phenyl]propanamide
CID 60865925
2-[2-(cyclopentylmethylamino)phenyl]-N-methylacetamide
CID 55030650
2-[(cyclopropylmethylamino)methyl]-N-methylaniline
CID 106703472
N-(cyclopropylmethyl)-3-[(dimethylamino)methyl]aniline
CID 43688859

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[(dimethylamino)methyl]aniline?
The IUPAC name of N-(cyclopropylmethyl)-2-[(dimethylamino)methyl]aniline (CID 43750217) is N-(cyclopropylmethyl)-2-[(dimethylamino)methyl]aniline.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[(dimethylamino)methyl]aniline?
The canonical SMILES for N-(cyclopropylmethyl)-2-[(dimethylamino)methyl]aniline is CN(C)Cc1ccccc1NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[(dimethylamino)methyl]aniline?
The InChIKey is KNEAQDLIPUSWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-15(2)10-12-5-3-4-6-13(12)14-9-11-7-8-11/h3-6,11,14H,7-10H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-2-[(dimethylamino)methyl]aniline?
N-(cyclopropylmethyl)-2-[(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)-2-[(dimethylamino)methyl]aniline is sourced from PubChem (CID 43750217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).