2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]aniline

C15H26N4 — CID 12973962

IUPAC2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]aniline
SMILESCN1CCN(C)CCN(Cc2ccccc2N)CC1
InChIInChI=1S/C15H26N4/c1-17-7-8-18(2)10-12-19(11-9-17)13-14-5-3-4-6-15(14)16/h3-6H,7-13,16H2,1-2H3
InChIKeyURBGKXKFMGEVDC-UHFFFAOYSA-N
MW262.40 g/mol
LogP0.95
Rot. Bonds2

About 2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]aniline

2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]aniline (PubChem CID 12973962) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]aniline.

Molecular Properties

Compound Name2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]aniline
PubChem CID12973962
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]aniline
SMILESCN1CCN(C)CCN(Cc2ccccc2N)CC1
InChIInChI=1S/C15H26N4/c1-17-7-8-18(2)10-12-19(11-9-17)13-14-5-3-4-6-15(14)16/h3-6H,7-13,16H2,1-2H3
InChIKeyURBGKXKFMGEVDC-UHFFFAOYSA-N
XLogP0.95
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 61430149
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3-[(4-methylpiperazin-1-yl)methyl]-1H-indol-7-amine
CID 117181811
5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]aniline
CID 59353063
2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropan-1-amine
CID 140875365
2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine
CID 117372127
1-benzyl-4-methylpiperazine;methanamine
CID 174694163
2-[[2-(4-methylpiperazin-1-yl)ethyl-propylamino]methyl]aniline
CID 82888255
3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]propanal
CID 117368540
5-amino-2-[(4-methylpiperazin-1-yl)methyl]phenol
CID 117219401
2-[[cyclopropyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]methyl]aniline
CID 82888435
3-[(4-methylpiperazin-1-yl)methyl]quinolin-2-amine
CID 62178935

Frequently Asked Questions

What is the IUPAC name of 2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]aniline?
The IUPAC name of 2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]aniline (CID 12973962) is 2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]aniline.
What is the SMILES notation for 2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]aniline?
The canonical SMILES for 2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]aniline is CN1CCN(C)CCN(Cc2ccccc2N)CC1.
What is the InChIKey of 2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]aniline?
The InChIKey is URBGKXKFMGEVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-17-7-8-18(2)10-12-19(11-9-17)13-14-5-3-4-6-15(14)16/h3-6H,7-13,16H2,1-2H3.
What are the key properties of 2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]aniline?
2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]aniline has a molecular weight of 262.40 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]aniline is sourced from PubChem (CID 12973962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).