4-(aminomethyl)-N,3-dimethyl-N-(4-methylpentan-2-yl)aniline

C15H26N2 — CID 62128610

IUPAC4-(aminomethyl)-N,3-dimethyl-N-(4-methylpentan-2-yl)aniline
SMILESCc1cc(N(C)C(C)CC(C)C)ccc1CN
InChIInChI=1S/C15H26N2/c1-11(2)8-13(4)17(5)15-7-6-14(10-16)12(3)9-15/h6-7,9,11,13H,8,10,16H2,1-5H3
InChIKeyNGECJSSNSPJPLS-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.32
Rot. Bonds5

About 4-(aminomethyl)-N,3-dimethyl-N-(4-methylpentan-2-yl)aniline

4-(aminomethyl)-N,3-dimethyl-N-(4-methylpentan-2-yl)aniline (PubChem CID 62128610) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N,3-dimethyl-N-(4-methylpentan-2-yl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-N,3-dimethyl-N-(4-methylpentan-2-yl)aniline
PubChem CID62128610
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name4-(aminomethyl)-N,3-dimethyl-N-(4-methylpentan-2-yl)aniline
SMILESCc1cc(N(C)C(C)CC(C)C)ccc1CN
InChIInChI=1S/C15H26N2/c1-11(2)8-13(4)17(5)15-7-6-14(10-16)12(3)9-15/h6-7,9,11,13H,8,10,16H2,1-5H3
InChIKeyNGECJSSNSPJPLS-UHFFFAOYSA-N
XLogP3.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.32
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

CID 7603
CID 7603
CID 67364
CID 67364
CID 108623
CID 108623
CID 66679
CID 66679
CID 87984
CID 87984
CID 91984
CID 91984
CID 67363
CID 67363
CID 119683
CID 119683
CID 70541
CID 70541
CID 2723782
CID 2723782
CID 61164
CID 61164
CID 67288
CID 67288

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,3-dimethyl-N-(4-methylpentan-2-yl)aniline?
The IUPAC name of 4-(aminomethyl)-N,3-dimethyl-N-(4-methylpentan-2-yl)aniline (CID 62128610) is 4-(aminomethyl)-N,3-dimethyl-N-(4-methylpentan-2-yl)aniline.
What is the SMILES notation for 4-(aminomethyl)-N,3-dimethyl-N-(4-methylpentan-2-yl)aniline?
The canonical SMILES for 4-(aminomethyl)-N,3-dimethyl-N-(4-methylpentan-2-yl)aniline is Cc1cc(N(C)C(C)CC(C)C)ccc1CN.
What is the InChIKey of 4-(aminomethyl)-N,3-dimethyl-N-(4-methylpentan-2-yl)aniline?
The InChIKey is NGECJSSNSPJPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-11(2)8-13(4)17(5)15-7-6-14(10-16)12(3)9-15/h6-7,9,11,13H,8,10,16H2,1-5H3.
What are the key properties of 4-(aminomethyl)-N,3-dimethyl-N-(4-methylpentan-2-yl)aniline?
4-(aminomethyl)-N,3-dimethyl-N-(4-methylpentan-2-yl)aniline has a molecular weight of 234.39 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,3-dimethyl-N-(4-methylpentan-2-yl)aniline is sourced from PubChem (CID 62128610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).