3-methyl-3-N-[2-(4-methylphenyl)ethyl]butane-1,3-diamine

C14H24N2 — CID 115134895

IUPAC3-methyl-3-N-[2-(4-methylphenyl)ethyl]butane-1,3-diamine
SMILESCc1ccc(CCNC(C)(C)CCN)cc1
InChIInChI=1S/C14H24N2/c1-12-4-6-13(7-5-12)8-11-16-14(2,3)9-10-15/h4-7,16H,8-11,15H2,1-3H3
InChIKeyBJGGOQPSTCTBAS-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.25
Rot. Bonds6

About 3-methyl-3-N-[2-(4-methylphenyl)ethyl]butane-1,3-diamine

3-methyl-3-N-[2-(4-methylphenyl)ethyl]butane-1,3-diamine (PubChem CID 115134895) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 3-methyl-3-N-[2-(4-methylphenyl)ethyl]butane-1,3-diamine.

Molecular Properties

Compound Name3-methyl-3-N-[2-(4-methylphenyl)ethyl]butane-1,3-diamine
PubChem CID115134895
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name3-methyl-3-N-[2-(4-methylphenyl)ethyl]butane-1,3-diamine
SMILESCc1ccc(CCNC(C)(C)CCN)cc1
InChIInChI=1S/C14H24N2/c1-12-4-6-13(7-5-12)8-11-16-14(2,3)9-10-15/h4-7,16H,8-11,15H2,1-3H3
InChIKeyBJGGOQPSTCTBAS-UHFFFAOYSA-N
XLogP2.25
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-3-N-(2-pyridin-4-ylethyl)butane-1,3-diamine
CID 115134973
3-N-[2-(4-fluoro-3-methylphenyl)ethyl]-3-methylbutane-1,3-diamine
CID 115134906
3-N-[2-(3-chloro-4-fluorophenyl)ethyl]-3-methylbutane-1,3-diamine
CID 115134949
3-methyl-3-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]butane-1,3-diamine
CID 115134955
3-[2-(4-tert-butylphenyl)ethylamino]-3-methylbutan-1-ol
CID 115134207
methanamine;2-(4-methylphenyl)ethanamine
CID 144589082
3-[[2-methyl-4-(4-methylphenyl)butan-2-yl]amino]propane-1-sulfonic acid
CID 58052916
3-methyl-3-N-[2-(1H-pyrrol-2-yl)ethyl]butane-1,3-diamine
CID 115134941
5-[2-[(4-amino-2-methylbutan-2-yl)amino]ethyl]-3H-1,3-benzoxazol-2-one
CID 115134962
3-amino-2,2-dimethyl-N-[2-(4-methylphenyl)ethyl]propanamide
CID 115154707
3-methyl-3-N-[(4-phenylphenyl)methyl]butane-1,3-diamine
CID 115134703
formaldehyde;2-(4-methylphenyl)ethanamine
CID 142897602

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-N-[2-(4-methylphenyl)ethyl]butane-1,3-diamine?
The IUPAC name of 3-methyl-3-N-[2-(4-methylphenyl)ethyl]butane-1,3-diamine (CID 115134895) is 3-methyl-3-N-[2-(4-methylphenyl)ethyl]butane-1,3-diamine.
What is the SMILES notation for 3-methyl-3-N-[2-(4-methylphenyl)ethyl]butane-1,3-diamine?
The canonical SMILES for 3-methyl-3-N-[2-(4-methylphenyl)ethyl]butane-1,3-diamine is Cc1ccc(CCNC(C)(C)CCN)cc1.
What is the InChIKey of 3-methyl-3-N-[2-(4-methylphenyl)ethyl]butane-1,3-diamine?
The InChIKey is BJGGOQPSTCTBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-12-4-6-13(7-5-12)8-11-16-14(2,3)9-10-15/h4-7,16H,8-11,15H2,1-3H3.
What are the key properties of 3-methyl-3-N-[2-(4-methylphenyl)ethyl]butane-1,3-diamine?
3-methyl-3-N-[2-(4-methylphenyl)ethyl]butane-1,3-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-N-[2-(4-methylphenyl)ethyl]butane-1,3-diamine is sourced from PubChem (CID 115134895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).