1-N,2-dimethyl-1-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propane-1,2-diamine

C17H30N2 — CID 115136280

IUPAC1-N,2-dimethyl-1-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propane-1,2-diamine
SMILESCc1ccc(C(C)C)cc1CCN(C)CC(C)(C)N
InChIInChI=1S/C17H30N2/c1-13(2)15-8-7-14(3)16(11-15)9-10-19(6)12-17(4,5)18/h7-8,11,13H,9-10,12,18H2,1-6H3
InChIKeySCHZFGWBGDKJQS-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.33
Rot. Bonds6

About 1-N,2-dimethyl-1-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propane-1,2-diamine

1-N,2-dimethyl-1-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propane-1,2-diamine (PubChem CID 115136280) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-N,2-dimethyl-1-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-dimethyl-1-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propane-1,2-diamine
PubChem CID115136280
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-N,2-dimethyl-1-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propane-1,2-diamine
SMILESCc1ccc(C(C)C)cc1CCN(C)CC(C)(C)N
InChIInChI=1S/C17H30N2/c1-13(2)15-8-7-14(3)16(11-15)9-10-19(6)12-17(4,5)18/h7-8,11,13H,9-10,12,18H2,1-6H3
InChIKeySCHZFGWBGDKJQS-UHFFFAOYSA-N
XLogP3.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[methyl-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]amino]methanethiol
CID 115228441
N-methyl-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propan-2-amine
CID 117044196
1-N-[2-(2,4-dimethylphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136246
1-N,2-N,2-trimethyl-1-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,2-diamine
CID 115222369
methyl-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]carbamothioic S-acid
CID 115170441
4-(2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 96657410
1-N,2-dimethyl-1-N-[2-(2,4,6-trimethylphenyl)ethyl]propane-1,2-diamine
CID 115136256
1-N,4-dimethyl-1-N-(2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine
CID 115205259
N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propan-2-amine
CID 117044047
1-methyl-2-(2-phenylethyl)-4-propan-2-ylbenzene
CID 142112281
diethyl 2-methyl-2-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propanedioate
CID 599928
3-amino-3-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide
CID 115154989

Frequently Asked Questions

What is the IUPAC name of 1-N,2-dimethyl-1-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propane-1,2-diamine?
The IUPAC name of 1-N,2-dimethyl-1-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propane-1,2-diamine (CID 115136280) is 1-N,2-dimethyl-1-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propane-1,2-diamine.
What is the SMILES notation for 1-N,2-dimethyl-1-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propane-1,2-diamine?
The canonical SMILES for 1-N,2-dimethyl-1-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propane-1,2-diamine is Cc1ccc(C(C)C)cc1CCN(C)CC(C)(C)N.
What is the InChIKey of 1-N,2-dimethyl-1-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propane-1,2-diamine?
The InChIKey is SCHZFGWBGDKJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-13(2)15-8-7-14(3)16(11-15)9-10-19(6)12-17(4,5)18/h7-8,11,13H,9-10,12,18H2,1-6H3.
What are the key properties of 1-N,2-dimethyl-1-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propane-1,2-diamine?
1-N,2-dimethyl-1-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-dimethyl-1-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propane-1,2-diamine is sourced from PubChem (CID 115136280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).