2-methyl-N-(3-methylbut-1-en-2-yl)pentan-2-amine;3-methyl-N-propan-2-ylbutan-1-amine

C19H42N2 — CID 171106690

IUPAC2-methyl-N-(3-methylbut-1-en-2-yl)pentan-2-amine;3-methyl-N-propan-2-ylbutan-1-amine
SMILESC=C(NC(C)(C)CCC)C(C)C.CC(C)CCNC(C)C
InChIInChI=1S/C11H23N.C8H19N/c1-7-8-11(5,6)12-10(4)9(2)3;1-7(2)5-6-9-8(3)4/h9,12H,4,7-8H2,1-3,5-6H3;7-9H,5-6H2,1-4H3
InChIKeyPLFOVSHTZOAHRJ-UHFFFAOYSA-N
MW298.56 g/mol
LogP5.35
Rot. Bonds9

About 2-methyl-N-(3-methylbut-1-en-2-yl)pentan-2-amine;3-methyl-N-propan-2-ylbutan-1-amine

2-methyl-N-(3-methylbut-1-en-2-yl)pentan-2-amine;3-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 171106690) has the molecular formula C19H42N2 and a molecular weight of 298.56 g/mol. Its IUPAC name is 2-methyl-N-(3-methylbut-1-en-2-yl)pentan-2-amine;3-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(3-methylbut-1-en-2-yl)pentan-2-amine;3-methyl-N-propan-2-ylbutan-1-amine
PubChem CID171106690
Molecular FormulaC19H42N2
Molecular Weight298.56 g/mol
Exact Mass298.33
IUPAC Name2-methyl-N-(3-methylbut-1-en-2-yl)pentan-2-amine;3-methyl-N-propan-2-ylbutan-1-amine
SMILESC=C(NC(C)(C)CCC)C(C)C.CC(C)CCNC(C)C
InChIInChI=1S/C11H23N.C8H19N/c1-7-8-11(5,6)12-10(4)9(2)3;1-7(2)5-6-9-8(3)4/h9,12H,4,7-8H2,1-3,5-6H3;7-9H,5-6H2,1-4H3
InChIKeyPLFOVSHTZOAHRJ-UHFFFAOYSA-N
XLogP5.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.56
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylbut-1-en-2-yl)pentan-2-amine;3-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-methyl-N-(3-methylbut-1-en-2-yl)pentan-2-amine;3-methyl-N-propan-2-ylbutan-1-amine (CID 171106690) is 2-methyl-N-(3-methylbut-1-en-2-yl)pentan-2-amine;3-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-methyl-N-(3-methylbut-1-en-2-yl)pentan-2-amine;3-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-methyl-N-(3-methylbut-1-en-2-yl)pentan-2-amine;3-methyl-N-propan-2-ylbutan-1-amine is C=C(NC(C)(C)CCC)C(C)C.CC(C)CCNC(C)C.
What is the InChIKey of 2-methyl-N-(3-methylbut-1-en-2-yl)pentan-2-amine;3-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is PLFOVSHTZOAHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.C8H19N/c1-7-8-11(5,6)12-10(4)9(2)3;1-7(2)5-6-9-8(3)4/h9,12H,4,7-8H2,1-3,5-6H3;7-9H,5-6H2,1-4H3.
What are the key properties of 2-methyl-N-(3-methylbut-1-en-2-yl)pentan-2-amine;3-methyl-N-propan-2-ylbutan-1-amine?
2-methyl-N-(3-methylbut-1-en-2-yl)pentan-2-amine;3-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 298.56 g/mol, XLogP of 5.35, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylbut-1-en-2-yl)pentan-2-amine;3-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 171106690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).