3,3-dimethyl-N-propan-2-yl-4-(2,4,6-trimethylphenyl)butan-1-amine

C18H31N — CID 81022510

IUPAC3,3-dimethyl-N-propan-2-yl-4-(2,4,6-trimethylphenyl)butan-1-amine
SMILESCc1cc(C)c(CC(C)(C)CCNC(C)C)c(C)c1
InChIInChI=1S/C18H31N/c1-13(2)19-9-8-18(6,7)12-17-15(4)10-14(3)11-16(17)5/h10-11,13,19H,8-9,12H2,1-7H3
InChIKeyQMYGUNMEQKKLBA-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.57
Rot. Bonds6

About 3,3-dimethyl-N-propan-2-yl-4-(2,4,6-trimethylphenyl)butan-1-amine

3,3-dimethyl-N-propan-2-yl-4-(2,4,6-trimethylphenyl)butan-1-amine (PubChem CID 81022510) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 3,3-dimethyl-N-propan-2-yl-4-(2,4,6-trimethylphenyl)butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-propan-2-yl-4-(2,4,6-trimethylphenyl)butan-1-amine
PubChem CID81022510
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name3,3-dimethyl-N-propan-2-yl-4-(2,4,6-trimethylphenyl)butan-1-amine
SMILESCc1cc(C)c(CC(C)(C)CCNC(C)C)c(C)c1
InChIInChI=1S/C18H31N/c1-13(2)19-9-8-18(6,7)12-17-15(4)10-14(3)11-16(17)5/h10-11,13,19H,8-9,12H2,1-7H3
InChIKeyQMYGUNMEQKKLBA-UHFFFAOYSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-propan-2-yl-4-(2,4,6-trimethylphenyl)butan-1-amine?
The IUPAC name of 3,3-dimethyl-N-propan-2-yl-4-(2,4,6-trimethylphenyl)butan-1-amine (CID 81022510) is 3,3-dimethyl-N-propan-2-yl-4-(2,4,6-trimethylphenyl)butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-propan-2-yl-4-(2,4,6-trimethylphenyl)butan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-propan-2-yl-4-(2,4,6-trimethylphenyl)butan-1-amine is Cc1cc(C)c(CC(C)(C)CCNC(C)C)c(C)c1.
What is the InChIKey of 3,3-dimethyl-N-propan-2-yl-4-(2,4,6-trimethylphenyl)butan-1-amine?
The InChIKey is QMYGUNMEQKKLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-13(2)19-9-8-18(6,7)12-17-15(4)10-14(3)11-16(17)5/h10-11,13,19H,8-9,12H2,1-7H3.
What are the key properties of 3,3-dimethyl-N-propan-2-yl-4-(2,4,6-trimethylphenyl)butan-1-amine?
3,3-dimethyl-N-propan-2-yl-4-(2,4,6-trimethylphenyl)butan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-propan-2-yl-4-(2,4,6-trimethylphenyl)butan-1-amine is sourced from PubChem (CID 81022510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).