2-N,2-N-dimethyl-1-N-[4-(3-methylphenyl)butan-2-yl]propane-1,2-diamine

C16H28N2 — CID 61169167

IUPAC2-N,2-N-dimethyl-1-N-[4-(3-methylphenyl)butan-2-yl]propane-1,2-diamine
SMILESCc1cccc(CCC(C)NCC(C)N(C)C)c1
InChIInChI=1S/C16H28N2/c1-13-7-6-8-16(11-13)10-9-14(2)17-12-15(3)18(4)5/h6-8,11,14-15,17H,9-10,12H2,1-5H3
InChIKeyYWRYUAHYVAIGJF-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.86
Rot. Bonds7

About 2-N,2-N-dimethyl-1-N-[4-(3-methylphenyl)butan-2-yl]propane-1,2-diamine

2-N,2-N-dimethyl-1-N-[4-(3-methylphenyl)butan-2-yl]propane-1,2-diamine (PubChem CID 61169167) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-1-N-[4-(3-methylphenyl)butan-2-yl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-1-N-[4-(3-methylphenyl)butan-2-yl]propane-1,2-diamine
PubChem CID61169167
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name2-N,2-N-dimethyl-1-N-[4-(3-methylphenyl)butan-2-yl]propane-1,2-diamine
SMILESCc1cccc(CCC(C)NCC(C)N(C)C)c1
InChIInChI=1S/C16H28N2/c1-13-7-6-8-16(11-13)10-9-14(2)17-12-15(3)18(4)5/h6-8,11,14-15,17H,9-10,12H2,1-5H3
InChIKeyYWRYUAHYVAIGJF-UHFFFAOYSA-N
XLogP2.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
N-(2-cyclopropylpropyl)-4-(3-methylphenyl)butan-2-amine
CID 113475005
N-benzyl-4-(3-methylphenyl)butan-2-amine
CID 61170329
3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]hexan-1-ol
CID 103787400
N-[(2-ethylphenyl)methyl]-4-(3-methylphenyl)butan-2-amine
CID 64680088
4-(3-methylphenyl)-N-[(4-methylphenyl)methyl]butan-2-amine
CID 63420838
4-(3-methylphenyl)-N-(2-methylprop-2-enyl)butan-2-amine
CID 114615744
4-(3-methylphenyl)-N-(3-phenylpropyl)butan-2-amine
CID 63420680
N-(3-ethylsulfanylpropyl)-4-(3-methylphenyl)butan-2-amine
CID 114247868
3-[4-(3-methylphenyl)butan-2-ylamino]propanoic acid
CID 61171891
N-methyl-2-[4-(3-methylphenyl)butan-2-ylamino]acetamide
CID 61171893
(2R)-2-[4-(3-methylphenyl)butan-2-ylamino]propan-1-ol
CID 114987003

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-1-N-[4-(3-methylphenyl)butan-2-yl]propane-1,2-diamine?
The IUPAC name of 2-N,2-N-dimethyl-1-N-[4-(3-methylphenyl)butan-2-yl]propane-1,2-diamine (CID 61169167) is 2-N,2-N-dimethyl-1-N-[4-(3-methylphenyl)butan-2-yl]propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-1-N-[4-(3-methylphenyl)butan-2-yl]propane-1,2-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-1-N-[4-(3-methylphenyl)butan-2-yl]propane-1,2-diamine is Cc1cccc(CCC(C)NCC(C)N(C)C)c1.
What is the InChIKey of 2-N,2-N-dimethyl-1-N-[4-(3-methylphenyl)butan-2-yl]propane-1,2-diamine?
The InChIKey is YWRYUAHYVAIGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-13-7-6-8-16(11-13)10-9-14(2)17-12-15(3)18(4)5/h6-8,11,14-15,17H,9-10,12H2,1-5H3.
What are the key properties of 2-N,2-N-dimethyl-1-N-[4-(3-methylphenyl)butan-2-yl]propane-1,2-diamine?
2-N,2-N-dimethyl-1-N-[4-(3-methylphenyl)butan-2-yl]propane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-1-N-[4-(3-methylphenyl)butan-2-yl]propane-1,2-diamine is sourced from PubChem (CID 61169167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).