N-[[1-(aminomethyl)cyclopropyl]methyl]-N,4-dimethylaniline

C13H20N2 — CID 84778072

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-N,4-dimethylaniline
SMILESCc1ccc(N(C)CC2(CN)CC2)cc1
InChIInChI=1S/C13H20N2/c1-11-3-5-12(6-4-11)15(2)10-13(9-14)7-8-13/h3-6H,7-10,14H2,1-2H3
InChIKeyMQGVSFJFEQUNBC-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.17
Rot. Bonds4

About N-[[1-(aminomethyl)cyclopropyl]methyl]-N,4-dimethylaniline

N-[[1-(aminomethyl)cyclopropyl]methyl]-N,4-dimethylaniline (PubChem CID 84778072) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-N,4-dimethylaniline.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-N,4-dimethylaniline
PubChem CID84778072
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-N,4-dimethylaniline
SMILESCc1ccc(N(C)CC2(CN)CC2)cc1
InChIInChI=1S/C13H20N2/c1-11-3-5-12(6-4-11)15(2)10-13(9-14)7-8-13/h3-6H,7-10,14H2,1-2H3
InChIKeyMQGVSFJFEQUNBC-UHFFFAOYSA-N
XLogP2.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(aminomethyl)cyclopentyl]methyl]-N,4-dimethylaniline
CID 62259755
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-tert-butyl-N-methylaniline
CID 115243941
N-[[1-(aminomethyl)cyclobutyl]methyl]-N,6-dimethylnaphthalen-2-amine
CID 115245749
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methylaniline
CID 115448798
N-[[1-(aminomethyl)cyclohexyl]methyl]-4-methoxy-N-methylaniline
CID 62261141
N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethyl-4-methylaniline
CID 62260420
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 115243960
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-chloro-N-methylaniline
CID 84789895
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-fluoro-4-methoxy-N-methylaniline
CID 115243951
4-[(N,4-dimethylanilino)methyl]oxan-4-amine
CID 115295457
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methylnaphthalen-2-amine
CID 115245752
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115245672

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-N,4-dimethylaniline?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-N,4-dimethylaniline (CID 84778072) is N-[[1-(aminomethyl)cyclopropyl]methyl]-N,4-dimethylaniline.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-N,4-dimethylaniline?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-N,4-dimethylaniline is Cc1ccc(N(C)CC2(CN)CC2)cc1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-N,4-dimethylaniline?
The InChIKey is MQGVSFJFEQUNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-11-3-5-12(6-4-11)15(2)10-13(9-14)7-8-13/h3-6H,7-10,14H2,1-2H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-N,4-dimethylaniline?
N-[[1-(aminomethyl)cyclopropyl]methyl]-N,4-dimethylaniline has a molecular weight of 204.32 g/mol, XLogP of 2.17, 4 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,4-dimethylaniline is sourced from PubChem (CID 84778072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).