N'-(3,4-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine

C14H24N2 — CID 115203033

IUPACN'-(3,4-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine
SMILESCc1ccc(N(C)CCC(C)CN)cc1C
InChIInChI=1S/C14H24N2/c1-11(10-15)7-8-16(4)14-6-5-12(2)13(3)9-14/h5-6,9,11H,7-8,10,15H2,1-4H3
InChIKeyMNKNTNRZTISXCV-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.72
Rot. Bonds5

About N'-(3,4-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine

N'-(3,4-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine (PubChem CID 115203033) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N'-(3,4-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(3,4-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine
PubChem CID115203033
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN'-(3,4-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine
SMILESCc1ccc(N(C)CCC(C)CN)cc1C
InChIInChI=1S/C14H24N2/c1-11(10-15)7-8-16(4)14-6-5-12(2)13(3)9-14/h5-6,9,11H,7-8,10,15H2,1-4H3
InChIKeyMNKNTNRZTISXCV-UHFFFAOYSA-N
XLogP2.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.72
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'-(3,5-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine
CID 81079446
N'-(3-fluoro-4-methoxyphenyl)-N',2-dimethylbutane-1,4-diamine
CID 115203044
N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N',2-dimethylbutane-1,4-diamine
CID 115203053
2-N-(3,4-dimethylphenyl)-2-N-methylpropane-1,2-diamine
CID 55263892
N'-(3,4-dimethylphenyl)-N,N,N'-trimethylethane-1,2-diamine;ethane
CID 144693045
N'-(3,4-dimethylphenyl)-N',2,2-trimethylbutane-1,4-diamine
CID 115204769
1-N-(4-methoxy-3-methylphenyl)-1-N-methylbutane-1,3-diamine
CID 115199109
N,3,4-trimethyl-N-propan-2-ylaniline
CID 117043839
2-N-(3,4-dimethylphenyl)-2-N-ethylpropane-1,2-diamine
CID 82021074
N'-(4-fluorophenyl)-N',2-dimethylpentane-1,5-diamine
CID 82682682
N-(bromomethyl)-N,3,4-trimethylaniline
CID 115261662
3-amino-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide
CID 83535959

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine?
The IUPAC name of N'-(3,4-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine (CID 115203033) is N'-(3,4-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine.
What is the SMILES notation for N'-(3,4-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine?
The canonical SMILES for N'-(3,4-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine is Cc1ccc(N(C)CCC(C)CN)cc1C.
What is the InChIKey of N'-(3,4-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine?
The InChIKey is MNKNTNRZTISXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-11(10-15)7-8-16(4)14-6-5-12(2)13(3)9-14/h5-6,9,11H,7-8,10,15H2,1-4H3.
What are the key properties of N'-(3,4-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine?
N'-(3,4-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine is sourced from PubChem (CID 115203033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).