2-(aminomethyl)-N,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline

C14H20N4 — CID 107105590

IUPAC2-(aminomethyl)-N,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
SMILESCc1cccc(CN)c1N(C)Cc1cnn(C)c1
InChIInChI=1S/C14H20N4/c1-11-5-4-6-13(7-15)14(11)17(2)9-12-8-16-18(3)10-12/h4-6,8,10H,7,9,15H2,1-3H3
InChIKeyDEPSJXFNVRSABB-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.82
Rot. Bonds4

About 2-(aminomethyl)-N,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline

2-(aminomethyl)-N,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline (PubChem CID 107105590) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-(aminomethyl)-N,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
PubChem CID107105590
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-(aminomethyl)-N,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
SMILESCc1cccc(CN)c1N(C)Cc1cnn(C)c1
InChIInChI=1S/C14H20N4/c1-11-5-4-6-13(7-15)14(11)17(2)9-12-8-16-18(3)10-12/h4-6,8,10H,7,9,15H2,1-3H3
InChIKeyDEPSJXFNVRSABB-UHFFFAOYSA-N
XLogP1.82
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N,6-dimethyl-N-[(3-methylphenyl)methyl]aniline
CID 107105568
3-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine
CID 81246090
[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]methanamine
CID 61438389
4-(aminomethyl)-3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 55154692
5-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine
CID 80630281
N-methyl-1-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 61438129
[1-[2-(1-methylpyrazol-4-yl)ethyl]indol-7-yl]methanamine
CID 103005659
2-(aminomethyl)-N-(furan-2-ylmethyl)-N,6-dimethylaniline
CID 107105514
[4-fluoro-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]methanamine
CID 64770261
[6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-2-pyridinyl]methanol
CID 62254806
3-chloro-1-N-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,2-diamine
CID 104834246
6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-2-carbothioamide
CID 64589435

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline?
The IUPAC name of 2-(aminomethyl)-N,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline (CID 107105590) is 2-(aminomethyl)-N,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 2-(aminomethyl)-N,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline?
The canonical SMILES for 2-(aminomethyl)-N,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline is Cc1cccc(CN)c1N(C)Cc1cnn(C)c1.
What is the InChIKey of 2-(aminomethyl)-N,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline?
The InChIKey is DEPSJXFNVRSABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-11-5-4-6-13(7-15)14(11)17(2)9-12-8-16-18(3)10-12/h4-6,8,10H,7,9,15H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline?
2-(aminomethyl)-N,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline has a molecular weight of 244.34 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 107105590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).